N-butyl-N-(cyclohexen-1-yl)acetamide

C12H21NO — CID 13169218

IUPACN-butyl-N-(cyclohexen-1-yl)acetamide
SMILESCCCCN(C(C)=O)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h8H,3-7,9-10H2,1-2H3
InChIKeyTWLMOWHOLYQWLI-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.09
Rot. Bonds4

About N-butyl-N-(cyclohexen-1-yl)acetamide

N-butyl-N-(cyclohexen-1-yl)acetamide (PubChem CID 13169218) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-butyl-N-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(cyclohexen-1-yl)acetamide
PubChem CID13169218
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-butyl-N-(cyclohexen-1-yl)acetamide
SMILESCCCCN(C(C)=O)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h8H,3-7,9-10H2,1-2H3
InChIKeyTWLMOWHOLYQWLI-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-butyl-N-(cyclohexen-1-yl)acetamide (CID 13169218) is N-butyl-N-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-butyl-N-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-butyl-N-(cyclohexen-1-yl)acetamide is CCCCN(C(C)=O)C1=CCCCC1.
What is the InChIKey of N-butyl-N-(cyclohexen-1-yl)acetamide?
The InChIKey is TWLMOWHOLYQWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h8H,3-7,9-10H2,1-2H3.
What are the key properties of N-butyl-N-(cyclohexen-1-yl)acetamide?
N-butyl-N-(cyclohexen-1-yl)acetamide has a molecular weight of 195.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 13169218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).