N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide

C12H17NO2 — CID 176958754

IUPACN-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide
SMILESO=CC(NC(=O)C12CC1C2)C1CCCC1
InChIInChI=1S/C12H17NO2/c14-7-10(8-3-1-2-4-8)13-11(15)12-5-9(12)6-12/h7-10H,1-6H2,(H,13,15)
InChIKeyHFGYICGYXDBGNB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.27
Rot. Bonds4

About N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide

N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 176958754) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide
PubChem CID176958754
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide
SMILESO=CC(NC(=O)C12CC1C2)C1CCCC1
InChIInChI=1S/C12H17NO2/c14-7-10(8-3-1-2-4-8)13-11(15)12-5-9(12)6-12/h7-10H,1-6H2,(H,13,15)
InChIKeyHFGYICGYXDBGNB-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide (CID 176958754) is N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide is O=CC(NC(=O)C12CC1C2)C1CCCC1.
What is the InChIKey of N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is HFGYICGYXDBGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-7-10(8-3-1-2-4-8)13-11(15)12-5-9(12)6-12/h7-10H,1-6H2,(H,13,15).
What are the key properties of N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide?
N-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 207.27 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-(1-cyclopentyl-2-oxoethyl)bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 176958754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).