N-[2-(cyclohexen-1-yl)ethyl]formamide

C9H15NO — CID 2780443

IUPACN-[2-(cyclohexen-1-yl)ethyl]formamide
SMILESO=CNCCC1=CCCCC1
InChIInChI=1S/C9H15NO/c11-8-10-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7H2,(H,10,11)
InChIKeyXWTNNDMADIECSF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]formamide

N-[2-(cyclohexen-1-yl)ethyl]formamide (PubChem CID 2780443) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]formamide
PubChem CID2780443
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]formamide
SMILESO=CNCCC1=CCCCC1
InChIInChI=1S/C9H15NO/c11-8-10-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7H2,(H,10,11)
InChIKeyXWTNNDMADIECSF-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]formamide (CID 2780443) is N-[2-(cyclohexen-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]formamide is O=CNCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]formamide?
The InChIKey is XWTNNDMADIECSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-8-10-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7H2,(H,10,11).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]formamide?
N-[2-(cyclohexen-1-yl)ethyl]formamide has a molecular weight of 153.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]formamide is sourced from PubChem (CID 2780443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).