N-(1-methyl-4-methylidenecyclohexyl)acetamide

C10H17NO — CID 10607185

IUPACN-(1-methyl-4-methylidenecyclohexyl)acetamide
SMILESC=C1CCC(C)(NC(C)=O)CC1
InChIInChI=1S/C10H17NO/c1-8-4-6-10(3,7-5-8)11-9(2)12/h1,4-7H2,2-3H3,(H,11,12)
InChIKeyOQDCOAZBTAXEFJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.01
Rot. Bonds1

About N-(1-methyl-4-methylidenecyclohexyl)acetamide

N-(1-methyl-4-methylidenecyclohexyl)acetamide (PubChem CID 10607185) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(1-methyl-4-methylidenecyclohexyl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-4-methylidenecyclohexyl)acetamide
PubChem CID10607185
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(1-methyl-4-methylidenecyclohexyl)acetamide
SMILESC=C1CCC(C)(NC(C)=O)CC1
InChIInChI=1S/C10H17NO/c1-8-4-6-10(3,7-5-8)11-9(2)12/h1,4-7H2,2-3H3,(H,11,12)
InChIKeyOQDCOAZBTAXEFJ-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.01
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-(1-methyl-4-methylidenecyclohexyl)acetamide?
The IUPAC name of N-(1-methyl-4-methylidenecyclohexyl)acetamide (CID 10607185) is N-(1-methyl-4-methylidenecyclohexyl)acetamide.
What is the SMILES notation for N-(1-methyl-4-methylidenecyclohexyl)acetamide?
The canonical SMILES for N-(1-methyl-4-methylidenecyclohexyl)acetamide is C=C1CCC(C)(NC(C)=O)CC1.
What is the InChIKey of N-(1-methyl-4-methylidenecyclohexyl)acetamide?
The InChIKey is OQDCOAZBTAXEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-4-6-10(3,7-5-8)11-9(2)12/h1,4-7H2,2-3H3,(H,11,12).
What are the key properties of N-(1-methyl-4-methylidenecyclohexyl)acetamide?
N-(1-methyl-4-methylidenecyclohexyl)acetamide has a molecular weight of 167.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-methylidenecyclohexyl)acetamide is sourced from PubChem (CID 10607185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).