N-cyclohexylbut-3-enamide

C10H17NO — CID 10487283

IUPACN-cyclohexylbut-3-enamide
SMILESC=CCC(=O)NC1CCCCC1
InChIInChI=1S/C10H17NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h2,9H,1,3-8H2,(H,11,12)
InChIKeyXWNSDHLWQKDNNV-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.01
Rot. Bonds3

About N-cyclohexylbut-3-enamide

N-cyclohexylbut-3-enamide (PubChem CID 10487283) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-cyclohexylbut-3-enamide.

Molecular Properties

Compound NameN-cyclohexylbut-3-enamide
PubChem CID10487283
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-cyclohexylbut-3-enamide
SMILESC=CCC(=O)NC1CCCCC1
InChIInChI=1S/C10H17NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h2,9H,1,3-8H2,(H,11,12)
InChIKeyXWNSDHLWQKDNNV-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylbut-3-enamide?
The IUPAC name of N-cyclohexylbut-3-enamide (CID 10487283) is N-cyclohexylbut-3-enamide.
What is the SMILES notation for N-cyclohexylbut-3-enamide?
The canonical SMILES for N-cyclohexylbut-3-enamide is C=CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexylbut-3-enamide?
The InChIKey is XWNSDHLWQKDNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h2,9H,1,3-8H2,(H,11,12).
What are the key properties of N-cyclohexylbut-3-enamide?
N-cyclohexylbut-3-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylbut-3-enamide is sourced from PubChem (CID 10487283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).