N-(2-acetylcyclohexyl)formamide

C9H15NO2 — CID 134421242

IUPACN-(2-acetylcyclohexyl)formamide
SMILESCC(=O)C1CCCCC1NC=O
InChIInChI=1S/C9H15NO2/c1-7(12)8-4-2-3-5-9(8)10-6-11/h6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyPTYZDKHAFFDXIE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.88
Rot. Bonds3

About N-(2-acetylcyclohexyl)formamide

N-(2-acetylcyclohexyl)formamide (PubChem CID 134421242) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(2-acetylcyclohexyl)formamide.

Molecular Properties

Compound NameN-(2-acetylcyclohexyl)formamide
PubChem CID134421242
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(2-acetylcyclohexyl)formamide
SMILESCC(=O)C1CCCCC1NC=O
InChIInChI=1S/C9H15NO2/c1-7(12)8-4-2-3-5-9(8)10-6-11/h6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyPTYZDKHAFFDXIE-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylcyclohexyl)formamide?
The IUPAC name of N-(2-acetylcyclohexyl)formamide (CID 134421242) is N-(2-acetylcyclohexyl)formamide.
What is the SMILES notation for N-(2-acetylcyclohexyl)formamide?
The canonical SMILES for N-(2-acetylcyclohexyl)formamide is CC(=O)C1CCCCC1NC=O.
What is the InChIKey of N-(2-acetylcyclohexyl)formamide?
The InChIKey is PTYZDKHAFFDXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(12)8-4-2-3-5-9(8)10-6-11/h6,8-9H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(2-acetylcyclohexyl)formamide?
N-(2-acetylcyclohexyl)formamide has a molecular weight of 169.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylcyclohexyl)formamide is sourced from PubChem (CID 134421242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).