N-butyl-2-oxocyclopentane-1-carboxamide

C10H17NO2 — CID 4115490

IUPACN-butyl-2-oxocyclopentane-1-carboxamide
SMILESCCCCNC(=O)C1CCCC1=O
InChIInChI=1S/C10H17NO2/c1-2-3-7-11-10(13)8-5-4-6-9(8)12/h8H,2-7H2,1H3,(H,11,13)
InChIKeyBYAAQKZIHBYGOW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds4

About N-butyl-2-oxocyclopentane-1-carboxamide

N-butyl-2-oxocyclopentane-1-carboxamide (PubChem CID 4115490) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-butyl-2-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2-oxocyclopentane-1-carboxamide
PubChem CID4115490
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-butyl-2-oxocyclopentane-1-carboxamide
SMILESCCCCNC(=O)C1CCCC1=O
InChIInChI=1S/C10H17NO2/c1-2-3-7-11-10(13)8-5-4-6-9(8)12/h8H,2-7H2,1H3,(H,11,13)
InChIKeyBYAAQKZIHBYGOW-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxocyclopentane-1-carboxamide?
The IUPAC name of N-butyl-2-oxocyclopentane-1-carboxamide (CID 4115490) is N-butyl-2-oxocyclopentane-1-carboxamide.
What is the SMILES notation for N-butyl-2-oxocyclopentane-1-carboxamide?
The canonical SMILES for N-butyl-2-oxocyclopentane-1-carboxamide is CCCCNC(=O)C1CCCC1=O.
What is the InChIKey of N-butyl-2-oxocyclopentane-1-carboxamide?
The InChIKey is BYAAQKZIHBYGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-7-11-10(13)8-5-4-6-9(8)12/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of N-butyl-2-oxocyclopentane-1-carboxamide?
N-butyl-2-oxocyclopentane-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 4115490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).