2-methylcyclohexane-1-carboxamide

C8H15NO — CID 5159893

IUPAC2-methylcyclohexane-1-carboxamide
SMILESCC1CCCCC1C(N)=O
InChIInChI=1S/C8H15NO/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyMKMDIFAEEJIVLZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.30
Rot. Bonds1

About 2-methylcyclohexane-1-carboxamide

2-methylcyclohexane-1-carboxamide (PubChem CID 5159893) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methylcyclohexane-1-carboxamide
PubChem CID5159893
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methylcyclohexane-1-carboxamide
SMILESCC1CCCCC1C(N)=O
InChIInChI=1S/C8H15NO/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyMKMDIFAEEJIVLZ-UHFFFAOYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-methylcyclohexane-1-carboxamide (CID 5159893) is 2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-methylcyclohexane-1-carboxamide is CC1CCCCC1C(N)=O.
What is the InChIKey of 2-methylcyclohexane-1-carboxamide?
The InChIKey is MKMDIFAEEJIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of 2-methylcyclohexane-1-carboxamide?
2-methylcyclohexane-1-carboxamide has a molecular weight of 141.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 5159893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).