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

C12H20N2O4 — CID 142448490

IUPACN-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NOC1CCCCCC1
InChIInChI=1S/C12H20N2O4/c15-9-7-13-11(16)10(9)12(17)14-18-8-5-3-1-2-4-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17)
InChIKeyHGCYXBOSVJHAGB-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.14
Rot. Bonds3

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

N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 142448490) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID142448490
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NOC1CCCCCC1
InChIInChI=1S/C12H20N2O4/c15-9-7-13-11(16)10(9)12(17)14-18-8-5-3-1-2-4-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17)
InChIKeyHGCYXBOSVJHAGB-UHFFFAOYSA-N
XLogP-0.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438443
N'-cyclopentyl-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448510
(5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166244618
N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 83235668
N'-cyclohexyl-4-hydroxy-2-oxopiperidine-3-carbohydrazide
CID 142448554
N-cyclopentyloxy-2,3-dimethylbutanamide
CID 83202498
3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83229822
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
N-cyclopentyloxy-4-methoxypyrrolidine-2-carboxamide
CID 83235213
(5S)-N-cyclobutyloxy-2-oxo-1,3-oxazolidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166244617
N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448524
N-cyclopentyloxy-3-hydroxypyridine-4-carboxamide
CID 83218037

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 142448490) is N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)NOC1CCCCCC1.
What is the InChIKey of N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HGCYXBOSVJHAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-9-7-13-11(16)10(9)12(17)14-18-8-5-3-1-2-4-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17).
What are the key properties of N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 256.30 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyloxy-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142448490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).