N-methylcyclohex-3-ene-1-carboxamide

C8H13NO — CID 2780388

IUPACN-methylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)C1CC=CCC1
InChIInChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10)
InChIKeyDXXQJVHTEFQHMF-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds1

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

N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 2780388) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-methylcyclohex-3-ene-1-carboxamide
PubChem CID2780388
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-methylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)C1CC=CCC1
InChIInChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10)
InChIKeyDXXQJVHTEFQHMF-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 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 ≤ 51.09
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-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-methylcyclohex-3-ene-1-carboxamide (CID 2780388) is N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-methylcyclohex-3-ene-1-carboxamide is CNC(=O)C1CC=CCC1.
What is the InChIKey of N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is DXXQJVHTEFQHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3,(H,9,10).
What are the key properties of N-methylcyclohex-3-ene-1-carboxamide?
N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 2780388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).