2-(cyclopenten-1-yl)-N,N-dimethylacetamide

C9H15NO — CID 102287724

IUPAC2-(cyclopenten-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1=CCCC1
InChIInChI=1S/C9H15NO/c1-10(2)9(11)7-8-5-3-4-6-8/h5H,3-4,6-7H2,1-2H3
InChIKeyQMIRTMJGVDROIR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds2

About 2-(cyclopenten-1-yl)-N,N-dimethylacetamide

2-(cyclopenten-1-yl)-N,N-dimethylacetamide (PubChem CID 102287724) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N,N-dimethylacetamide
PubChem CID102287724
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(cyclopenten-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1=CCCC1
InChIInChI=1S/C9H15NO/c1-10(2)9(11)7-8-5-3-4-6-8/h5H,3-4,6-7H2,1-2H3
InChIKeyQMIRTMJGVDROIR-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
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-(cyclopenten-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(cyclopenten-1-yl)-N,N-dimethylacetamide (CID 102287724) is 2-(cyclopenten-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(cyclopenten-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N,N-dimethylacetamide?
The InChIKey is QMIRTMJGVDROIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)9(11)7-8-5-3-4-6-8/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(cyclopenten-1-yl)-N,N-dimethylacetamide?
2-(cyclopenten-1-yl)-N,N-dimethylacetamide has a molecular weight of 153.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 102287724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).