1-methylcyclohex-3-ene-1-carboxamide

C8H13NO — CID 3052840

IUPAC1-methylcyclohex-3-ene-1-carboxamide
SMILESCC1(C(N)=O)CC=CCC1
InChIInChI=1S/C8H13NO/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H2,9,10)
InChIKeyQLTVNOWJTFRSSC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds1

About 1-methylcyclohex-3-ene-1-carboxamide

1-methylcyclohex-3-ene-1-carboxamide (PubChem CID 3052840) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-methylcyclohex-3-ene-1-carboxamide
PubChem CID3052840
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-methylcyclohex-3-ene-1-carboxamide
SMILESCC1(C(N)=O)CC=CCC1
InChIInChI=1S/C8H13NO/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H2,9,10)
InChIKeyQLTVNOWJTFRSSC-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
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 1-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 1-methylcyclohex-3-ene-1-carboxamide (CID 3052840) is 1-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 1-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 1-methylcyclohex-3-ene-1-carboxamide is CC1(C(N)=O)CC=CCC1.
What is the InChIKey of 1-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is QLTVNOWJTFRSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H2,9,10).
What are the key properties of 1-methylcyclohex-3-ene-1-carboxamide?
1-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 3052840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).