2-methyl-3-methylidenecyclohexane-1-carboxamide

C9H15NO — CID 91260621

IUPAC2-methyl-3-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCCC(C(N)=O)C1C
InChIInChI=1S/C9H15NO/c1-6-4-3-5-8(7(6)2)9(10)11/h7-8H,1,3-5H2,2H3,(H2,10,11)
InChIKeyQBCPDTMFUFBTRV-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.46
Rot. Bonds1

About 2-methyl-3-methylidenecyclohexane-1-carboxamide

2-methyl-3-methylidenecyclohexane-1-carboxamide (PubChem CID 91260621) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-3-methylidenecyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-methylidenecyclohexane-1-carboxamide
PubChem CID91260621
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-3-methylidenecyclohexane-1-carboxamide
SMILESC=C1CCCC(C(N)=O)C1C
InChIInChI=1S/C9H15NO/c1-6-4-3-5-8(7(6)2)9(10)11/h7-8H,1,3-5H2,2H3,(H2,10,11)
InChIKeyQBCPDTMFUFBTRV-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-3-methylidenecyclohexane
CID 54109337
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
1-ethyl-2-methyl-3-methylidenecyclohexane
CID 123889355
cis-(1R,2R)-1-ethyl-2-methyl-3-methylidenecyclohexane
CID 148895610
trans-(2S,3S)-3-(2,2-dimethylpropanoyl)-2-methylcyclohexan-1-one
CID 71383809
methyl (2S)-2-methyl-6-methylidenecyclohexane-1-carboxylate
CID 10899080
methyl 2-methylidenecyclopentane-1-carboxylate
CID 557112
trans-(1S,2S)-2-hydroxycyclopentane-1-carboxamide
CID 55282135
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
1,2-dimethyl-3-methylidenecyclopentane
CID 529615
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidenecyclohexane-1-carboxamide?
The IUPAC name of 2-methyl-3-methylidenecyclohexane-1-carboxamide (CID 91260621) is 2-methyl-3-methylidenecyclohexane-1-carboxamide.
What is the SMILES notation for 2-methyl-3-methylidenecyclohexane-1-carboxamide?
The canonical SMILES for 2-methyl-3-methylidenecyclohexane-1-carboxamide is C=C1CCCC(C(N)=O)C1C.
What is the InChIKey of 2-methyl-3-methylidenecyclohexane-1-carboxamide?
The InChIKey is QBCPDTMFUFBTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-4-3-5-8(7(6)2)9(10)11/h7-8H,1,3-5H2,2H3,(H2,10,11).
What are the key properties of 2-methyl-3-methylidenecyclohexane-1-carboxamide?
2-methyl-3-methylidenecyclohexane-1-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidenecyclohexane-1-carboxamide is sourced from PubChem (CID 91260621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).