N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide

C12H20N2O3 — CID 142438443

IUPACN-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NC1CCCCCC1
InChIInChI=1S/C12H20N2O3/c15-9-7-13-11(16)10(9)12(17)14-8-5-3-1-2-4-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17)
InChIKeyWSYOWTZCCWKXPX-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.07
Rot. Bonds2

About N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide

N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 142438443) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID142438443
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NC1CCCCCC1
InChIInChI=1S/C12H20N2O3/c15-9-7-13-11(16)10(9)12(17)14-8-5-3-1-2-4-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17)
InChIKeyWSYOWTZCCWKXPX-UHFFFAOYSA-N
XLogP-0.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448510
N-cyclopentyl-4-methyl-2-oxopyrrolidine-3-carboxamide
CID 142438420
N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142448490
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
N'-cyclohexyl-4-hydroxy-2-oxopiperidine-3-carbohydrazide
CID 142448554
N-cyclohexylaziridine-2-carboxamide
CID 142164432
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
N-cyclohexylaziridine-2-carboxamide;methanol
CID 142164431
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclohexyloxirane-2-carboxamide
CID 560327

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 142438443) is N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WSYOWTZCCWKXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-9-7-13-11(16)10(9)12(17)14-8-5-3-1-2-4-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17).
What are the key properties of N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 240.30 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142438443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).