4-prop-1-en-2-ylcyclohexene-1-carboxamide

C10H15NO — CID 10103498

IUPAC4-prop-1-en-2-ylcyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(N)=O)CC1
InChIInChI=1S/C10H15NO/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H2,11,12)
InChIKeyFXDMRRYCEMBQLN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.77
Rot. Bonds2

About 4-prop-1-en-2-ylcyclohexene-1-carboxamide

4-prop-1-en-2-ylcyclohexene-1-carboxamide (PubChem CID 10103498) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-prop-1-en-2-ylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name4-prop-1-en-2-ylcyclohexene-1-carboxamide
PubChem CID10103498
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-prop-1-en-2-ylcyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(N)=O)CC1
InChIInChI=1S/C10H15NO/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H2,11,12)
InChIKeyFXDMRRYCEMBQLN-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.77
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 4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The IUPAC name of 4-prop-1-en-2-ylcyclohexene-1-carboxamide (CID 10103498) is 4-prop-1-en-2-ylcyclohexene-1-carboxamide.
What is the SMILES notation for 4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The canonical SMILES for 4-prop-1-en-2-ylcyclohexene-1-carboxamide is C=C(C)C1CC=C(C(N)=O)CC1.
What is the InChIKey of 4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The InChIKey is FXDMRRYCEMBQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H2,11,12).
What are the key properties of 4-prop-1-en-2-ylcyclohexene-1-carboxamide?
4-prop-1-en-2-ylcyclohexene-1-carboxamide has a molecular weight of 165.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylcyclohexene-1-carboxamide is sourced from PubChem (CID 10103498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).