N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide

C12H19NO2 — CID 126609716

IUPACN-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide
SMILESCC(=O)C1C=CCCCC1N(C)C(C)=O
InChIInChI=1S/C12H19NO2/c1-9(14)11-7-5-4-6-8-12(11)13(3)10(2)15/h5,7,11-12H,4,6,8H2,1-3H3
InChIKeyFFVBYRLOIPKTIC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds2

About N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide

N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide (PubChem CID 126609716) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide
PubChem CID126609716
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide
SMILESCC(=O)C1C=CCCCC1N(C)C(C)=O
InChIInChI=1S/C12H19NO2/c1-9(14)11-7-5-4-6-8-12(11)13(3)10(2)15/h5,7,11-12H,4,6,8H2,1-3H3
InChIKeyFFVBYRLOIPKTIC-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-acetylcyclohept-3-en-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide (CID 126609716) is N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide is CC(=O)C1C=CCCCC1N(C)C(C)=O.
What is the InChIKey of N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide?
The InChIKey is FFVBYRLOIPKTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(14)11-7-5-4-6-8-12(11)13(3)10(2)15/h5,7,11-12H,4,6,8H2,1-3H3.
What are the key properties of N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide?
N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide has a molecular weight of 209.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylcyclohept-3-en-1-yl)-N-methylacetamide is sourced from PubChem (CID 126609716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).