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

C10H17NO — CID 3610863

IUPACN-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C10H17NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3,(H,11,12)
InChIKeyJQVSJEIFXUFIGW-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.01
Rot. Bonds3

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

N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 3610863) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID3610863
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C10H17NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3,(H,11,12)
InChIKeyJQVSJEIFXUFIGW-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 3610863) is N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is JQVSJEIFXUFIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3,(H,11,12).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 167.25 g/mol, XLogP of 2.01, 3 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]acetamide is sourced from PubChem (CID 3610863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).