3-(piperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

3-(piperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

CAS: 1212350-66-7

Formula: C14H19NO3

SMILES: [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)N1CCCCC1

IUPAC: 3-(piperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

InChI: InChI=1/C14H19NO3/c16-13(15-6-2-1-3-7-15)11-9-4-5-10(8-9)12(11)14(17)18/h4-5,9-12H,1-3,6-8H2,(H,17,18)

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	4
Exact Mass	249.136493476
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IXKXWOPQJSDTFX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.65
Topological Polar Surface Area	57.61
Polarizability	25.84
Ring Count	3
Rotatable Bond Count	2

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