N,N-diethylcyclohex-3-ene-1-carboxamide

C11H19NO — CID 304105

IUPACN,N-diethylcyclohex-3-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1CCC=CC1
InChIInChI=1S/C11H19NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyPKSZJQRJWFUMHT-UHFFFAOYSA-N
MW181.27 g/mol
LogP1.90
Rot. Bonds3

About N,N-diethylcyclohex-3-ene-1-carboxamide

N,N-diethylcyclohex-3-ene-1-carboxamide (PubChem CID 304105) has the molecular formula C11H19NO and a molecular weight of 181.27 g/mol. Its IUPAC name is N,N-diethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethylcyclohex-3-ene-1-carboxamide
PubChem CID304105
Molecular FormulaC11H19NO
Molecular Weight181.27 g/mol
Exact Mass181.15
IUPAC NameN,N-diethylcyclohex-3-ene-1-carboxamide
SMILESCCN(CC)C(=O)C1CCC=CC1
InChIInChI=1S/C11H19NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyPKSZJQRJWFUMHT-UHFFFAOYSA-N
XLogP1.90
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
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,N-diethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-diethylcyclohex-3-ene-1-carboxamide (CID 304105) is N,N-diethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-diethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-diethylcyclohex-3-ene-1-carboxamide is CCN(CC)C(=O)C1CCC=CC1.
What is the InChIKey of N,N-diethylcyclohex-3-ene-1-carboxamide?
The InChIKey is PKSZJQRJWFUMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of N,N-diethylcyclohex-3-ene-1-carboxamide?
N,N-diethylcyclohex-3-ene-1-carboxamide has a molecular weight of 181.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 304105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).