2-cyclohex-2-en-1-yl-N,N-dimethylacetamide

C10H17NO — CID 14339057

IUPAC2-cyclohex-2-en-1-yl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1C=CCCC1
InChIInChI=1S/C10H17NO/c1-11(2)10(12)8-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyKTCKBWPZXQACPP-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds2

About 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide

2-cyclohex-2-en-1-yl-N,N-dimethylacetamide (PubChem CID 14339057) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-N,N-dimethylacetamide
PubChem CID14339057
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-cyclohex-2-en-1-yl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1C=CCCC1
InChIInChI=1S/C10H17NO/c1-11(2)10(12)8-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyKTCKBWPZXQACPP-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide?
The IUPAC name of 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide (CID 14339057) is 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide?
The canonical SMILES for 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide is CN(C)C(=O)CC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide?
The InChIKey is KTCKBWPZXQACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)10(12)8-9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide?
2-cyclohex-2-en-1-yl-N,N-dimethylacetamide has a molecular weight of 167.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-N,N-dimethylacetamide is sourced from PubChem (CID 14339057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).