N-but-3-enyl-2-(2-oxocyclohexyl)acetamide

C12H19NO2 — CID 12060211

IUPACN-but-3-enyl-2-(2-oxocyclohexyl)acetamide
SMILESC=CCCNC(=O)CC1CCCCC1=O
InChIInChI=1S/C12H19NO2/c1-2-3-8-13-12(15)9-10-6-4-5-7-11(10)14/h2,10H,1,3-9H2,(H,13,15)
InChIKeyLKCOAPYPWFUJJQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.83
Rot. Bonds5

About N-but-3-enyl-2-(2-oxocyclohexyl)acetamide

N-but-3-enyl-2-(2-oxocyclohexyl)acetamide (PubChem CID 12060211) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-but-3-enyl-2-(2-oxocyclohexyl)acetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(2-oxocyclohexyl)acetamide
PubChem CID12060211
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-but-3-enyl-2-(2-oxocyclohexyl)acetamide
SMILESC=CCCNC(=O)CC1CCCCC1=O
InChIInChI=1S/C12H19NO2/c1-2-3-8-13-12(15)9-10-6-4-5-7-11(10)14/h2,10H,1,3-9H2,(H,13,15)
InChIKeyLKCOAPYPWFUJJQ-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxocyclohexyl)acetamide
CID 101465774
2-(2-oxocyclohexyl)acetate
CID 21196476
copper bis(2-(2-oxocyclohexyl)acetate)
CID 90449787
(2S)-2-(1,1-dideuterioprop-2-enyl)cyclohexan-1-one
CID 10374540
2-(2-methylprop-2-enyl)cyclotridecan-1-one
CID 164771739
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-hept-6-enylcyclopentan-1-one
CID 107007757
2-[(2-oxocyclohexyl)methyl]prop-2-enenitrile
CID 67948891
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
1,1-bis(prop-2-enoxy)cyclohexane;2-prop-2-enylcyclohexan-1-one
CID 165014812
2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
CID 71182369
2-methylpropyl 2-[(1S)-2-oxocyclohexyl]acetate
CID 134175982

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(2-oxocyclohexyl)acetamide?
The IUPAC name of N-but-3-enyl-2-(2-oxocyclohexyl)acetamide (CID 12060211) is N-but-3-enyl-2-(2-oxocyclohexyl)acetamide.
What is the SMILES notation for N-but-3-enyl-2-(2-oxocyclohexyl)acetamide?
The canonical SMILES for N-but-3-enyl-2-(2-oxocyclohexyl)acetamide is C=CCCNC(=O)CC1CCCCC1=O.
What is the InChIKey of N-but-3-enyl-2-(2-oxocyclohexyl)acetamide?
The InChIKey is LKCOAPYPWFUJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-8-13-12(15)9-10-6-4-5-7-11(10)14/h2,10H,1,3-9H2,(H,13,15).
What are the key properties of N-but-3-enyl-2-(2-oxocyclohexyl)acetamide?
N-but-3-enyl-2-(2-oxocyclohexyl)acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(2-oxocyclohexyl)acetamide is sourced from PubChem (CID 12060211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).