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

C10H16ClNO — CID 4962031

IUPAC2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CCl)C1=CCCCC1
InChIInChI=1S/C10H16ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h6H,2-5,7-8H2,1H3
InChIKeyQOLDHFIDPLVGMJ-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.53
Rot. Bonds3

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

2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 4962031) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID4962031
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CCl)C1=CCCCC1
InChIInChI=1S/C10H16ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h6H,2-5,7-8H2,1H3
InChIKeyQOLDHFIDPLVGMJ-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 4961982
CID 4961982
CID 156640
CID 156640
CID 70451568
CID 70451568
CID 13169218
CID 13169218
CID 13169224
CID 13169224
CID 13169268
CID 13169268
CID 11820541
CID 11820541
CID 12490037
CID 12490037
CID 13021158
CID 13021158
CID 13021159
CID 13021159
CID 13052674
CID 13052674
CID 13342301
CID 13342301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 4962031) is 2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CCl)C1=CCCCC1.
What is the InChIKey of 2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is QOLDHFIDPLVGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h6H,2-5,7-8H2,1H3.
What are the key properties of 2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-chloro-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 201.70 g/mol, XLogP of 2.53, 3 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-ethylacetamide is sourced from PubChem (CID 4962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).