5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid hydrochloride

5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid hydrochloride

CAS: 1185299-46-0

Formula: C12H18ClNO3

SMILES: Cl.CCC1=C(CN2CCCC2)C=C(O1)C(O)=O

IUPAC: 5-ethyl-4-[(pyrrolidin-1-yl)methyl]furan-2-carboxylic acid hydrochloride

InChI: InChI=1S/C12H17NO3.ClH/c1-2-10-9(7-11(16-10)12(14)15)8-13-5-3-4-6-13;/h7H,2-6,8H2,1H3,(H,14,15);1H

Composition: C (55.49%), H (6.99%), Cl (13.65%), N (5.39%), O (18.48%)

Molar Mass: 259.73

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.0975211
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LRGNRKKGFWKXJP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.46
Topological Polar Surface Area	53.68
Polarizability	23.16
Ring Count	2
Rotatable Bond Count	4

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