N-(3-methylcyclohexylidene)propanamide

C10H17NO — CID 155574616

IUPACN-(3-methylcyclohexylidene)propanamide
SMILESCCC(=O)/N=C1\CCCC(C)C1
InChIInChI=1S/C10H17NO/c1-3-10(12)11-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3/b11-9+
InChIKeyGNLVOPOQZABSJA-PKNBQFBNSA-N
MW167.25 g/mol
LogP2.57
Rot. Bonds1

About N-(3-methylcyclohexylidene)propanamide

N-(3-methylcyclohexylidene)propanamide (PubChem CID 155574616) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(3-methylcyclohexylidene)propanamide.

Molecular Properties

Compound NameN-(3-methylcyclohexylidene)propanamide
PubChem CID155574616
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(3-methylcyclohexylidene)propanamide
SMILESCCC(=O)/N=C1\CCCC(C)C1
InChIInChI=1S/C10H17NO/c1-3-10(12)11-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3/b11-9+
InChIKeyGNLVOPOQZABSJA-PKNBQFBNSA-N
XLogP2.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexylidene)propanamide?
The IUPAC name of N-(3-methylcyclohexylidene)propanamide (CID 155574616) is N-(3-methylcyclohexylidene)propanamide.
What is the SMILES notation for N-(3-methylcyclohexylidene)propanamide?
The canonical SMILES for N-(3-methylcyclohexylidene)propanamide is CCC(=O)/N=C1\CCCC(C)C1.
What is the InChIKey of N-(3-methylcyclohexylidene)propanamide?
The InChIKey is GNLVOPOQZABSJA-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-10(12)11-9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3/b11-9+.
What are the key properties of N-(3-methylcyclohexylidene)propanamide?
N-(3-methylcyclohexylidene)propanamide has a molecular weight of 167.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexylidene)propanamide is sourced from PubChem (CID 155574616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).