2-(pyrrolidin-1-ylmethyl)phenylboronic acid

2-(pyrrolidin-1-ylmethyl)phenylboronic acid

CAS: 878289-40-8

Formula: C11H16BNO2

SMILES: OB(O)C1=CC=CC=C1CN1CCCC1

IUPAC: {2-[(pyrrolidin-1-yl)methyl]phenyl}boronic acid

InChI: InChI=1S/C11H16BNO2/c14-12(15)11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6,14-15H,3-4,7-9H2

Composition: C (64.43%), H (7.86%), B (5.27%), N (6.83%), O (15.60%)

Molar Mass: 205.06

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.127409
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PHKRRMUMVOCZGZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.69
Topological Polar Surface Area	43.7
Polarizability	23.54
Ring Count	2
Rotatable Bond Count	3

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