2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide

C11H18ClNO — CID 4961982

IUPAC2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)C1=CCCCC1
InChIInChI=1S/C11H18ClNO/c1-2-8-13(11(14)9-12)10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3
InChIKeyHTLYURVLGGCYSW-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide

2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide (PubChem CID 4961982) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide
PubChem CID4961982
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)C1=CCCCC1
InChIInChI=1S/C11H18ClNO/c1-2-8-13(11(14)9-12)10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3
InChIKeyHTLYURVLGGCYSW-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide?
The IUPAC name of 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide (CID 4961982) is 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide?
The canonical SMILES for 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide is CCCN(C(=O)CCl)C1=CCCCC1.
What is the InChIKey of 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide?
The InChIKey is HTLYURVLGGCYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-2-8-13(11(14)9-12)10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3.
What are the key properties of 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide?
2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide has a molecular weight of 215.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexen-1-yl)-N-propylacetamide is sourced from PubChem (CID 4961982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).