1-hexyl-5-oxopyrrolidine-3-carboxylic acid

1-hexyl-5-oxopyrrolidine-3-carboxylic acid

CAS: 116167-27-2

Formula: C11H19NO3

SMILES: CCCCCCN1CC(CC1=O)C(O)=O

IUPAC: 1-hexyl-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C11H19NO3/c1-2-3-4-5-6-12-8-9(11(14)15)7-10(12)13/h9H,2-8H2,1H3,(H,14,15)

Composition: C (61.95%), H (8.98%), N (6.57%), O (22.50%)

Molar Mass: 213.277

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	213.136493476
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VHKDTUOUWLJSJT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.32
Topological Polar Surface Area	57.61
Polarizability	22.02
Ring Count	1
Rotatable Bond Count	6

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