N-methylcyclohexene-1-carboxamide

C8H13NO — CID 12587286

IUPACN-methylcyclohexene-1-carboxamide
SMILESCNC(=O)C1=CCCCC1
InChIInChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyZWUTWTZOUNJUJA-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds1

About N-methylcyclohexene-1-carboxamide

N-methylcyclohexene-1-carboxamide (PubChem CID 12587286) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-methylcyclohexene-1-carboxamide
PubChem CID12587286
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-methylcyclohexene-1-carboxamide
SMILESCNC(=O)C1=CCCCC1
InChIInChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyZWUTWTZOUNJUJA-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexene-1-carboxamide?
The IUPAC name of N-methylcyclohexene-1-carboxamide (CID 12587286) is N-methylcyclohexene-1-carboxamide.
What is the SMILES notation for N-methylcyclohexene-1-carboxamide?
The canonical SMILES for N-methylcyclohexene-1-carboxamide is CNC(=O)C1=CCCCC1.
What is the InChIKey of N-methylcyclohexene-1-carboxamide?
The InChIKey is ZWUTWTZOUNJUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-8(10)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3,(H,9,10).
What are the key properties of N-methylcyclohexene-1-carboxamide?
N-methylcyclohexene-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexene-1-carboxamide is sourced from PubChem (CID 12587286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).