N,4-diethylcyclohex-2-ene-1-carboxamide

C11H19NO — CID 91289264

IUPACN,4-diethylcyclohex-2-ene-1-carboxamide
SMILESCCNC(=O)C1C=CC(CC)CC1
InChIInChI=1S/C11H19NO/c1-3-9-5-7-10(8-6-9)11(13)12-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,12,13)
InChIKeyYUENHPFDONPFAO-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.11
Rot. Bonds3

About N,4-diethylcyclohex-2-ene-1-carboxamide

N,4-diethylcyclohex-2-ene-1-carboxamide (PubChem CID 91289264) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,4-diethylcyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound NameN,4-diethylcyclohex-2-ene-1-carboxamide
PubChem CID91289264
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,4-diethylcyclohex-2-ene-1-carboxamide
SMILESCCNC(=O)C1C=CC(CC)CC1
InChIInChI=1S/C11H19NO/c1-3-9-5-7-10(8-6-9)11(13)12-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,12,13)
InChIKeyYUENHPFDONPFAO-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.11
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,4-diethylcyclohex-2-ene-1-carboxamide?
The IUPAC name of N,4-diethylcyclohex-2-ene-1-carboxamide (CID 91289264) is N,4-diethylcyclohex-2-ene-1-carboxamide.
What is the SMILES notation for N,4-diethylcyclohex-2-ene-1-carboxamide?
The canonical SMILES for N,4-diethylcyclohex-2-ene-1-carboxamide is CCNC(=O)C1C=CC(CC)CC1.
What is the InChIKey of N,4-diethylcyclohex-2-ene-1-carboxamide?
The InChIKey is YUENHPFDONPFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-9-5-7-10(8-6-9)11(13)12-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,12,13).
What are the key properties of N,4-diethylcyclohex-2-ene-1-carboxamide?
N,4-diethylcyclohex-2-ene-1-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethylcyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 91289264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).