N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide

C10H17NO — CID 10630919

IUPACN-(1,4-dimethylcyclohex-3-en-1-yl)acetamide
SMILESCC(=O)NC1(C)CC=C(C)CC1
InChIInChI=1S/C10H17NO/c1-8-4-6-10(3,7-5-8)11-9(2)12/h4H,5-7H2,1-3H3,(H,11,12)
InChIKeyBTZFHYYWTLEIPS-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.01
Rot. Bonds1

About N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide

N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide (PubChem CID 10630919) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,4-dimethylcyclohex-3-en-1-yl)acetamide
PubChem CID10630919
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(1,4-dimethylcyclohex-3-en-1-yl)acetamide
SMILESCC(=O)NC1(C)CC=C(C)CC1
InChIInChI=1S/C10H17NO/c1-8-4-6-10(3,7-5-8)11-9(2)12/h4H,5-7H2,1-3H3,(H,11,12)
InChIKeyBTZFHYYWTLEIPS-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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Related Compounds

Acetamide, N-[1-methyl-1-(4-methylcyclohex-3-enyl)ethyl]-
CID 379926
4,6,6-Trimethyl-5,6-dihydropyridin-2(1H)-one
CID 15357510
N-[(Z,4R)-6-ethenyl-2-fluoro-2,4-dimethyloct-6-en-4-yl]acetamide
CID 142543499
N-[6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658568
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658569
N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658570
N-(2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl)acetamide
CID 14993078
4-Methyl-1-azaspiro[5.5]undec-4-en-2-one
CID 164681967
N-(1-methyl-4-methylidenecyclohexyl)acetamide
CID 10607185
N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide
CID 92153842
N-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide
CID 92278018
(E)-N-tert-butyl-2-(2-methylprop-2-enyl)hex-4-enamide
CID 20790185

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide?
The IUPAC name of N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide (CID 10630919) is N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide.
What is the SMILES notation for N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide?
The canonical SMILES for N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide is CC(=O)NC1(C)CC=C(C)CC1.
What is the InChIKey of N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide?
The InChIKey is BTZFHYYWTLEIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-4-6-10(3,7-5-8)11-9(2)12/h4H,5-7H2,1-3H3,(H,11,12).
What are the key properties of N-(1,4-dimethylcyclohex-3-en-1-yl)acetamide?
N-(1,4-dimethylcyclohex-3-en-1-yl)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-(1,4-dimethylcyclohex-3-en-1-yl)acetamide is sourced from PubChem (CID 10630919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).