2-(dimethylamino)cyclopentan-1-one;formaldehyde

C8H15NO2 — CID 91302513

IUPAC2-(dimethylamino)cyclopentan-1-one;formaldehyde
SMILESC=O.CN(C)C1CCCC1=O
InChIInChI=1S/C7H13NO.CH2O/c1-8(2)6-4-3-5-7(6)9;1-2/h6H,3-5H2,1-2H3;1H2
InChIKeyXKPDXENNAIFNTA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.48
Rot. Bonds1

About 2-(dimethylamino)cyclopentan-1-one;formaldehyde

2-(dimethylamino)cyclopentan-1-one;formaldehyde (PubChem CID 91302513) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(dimethylamino)cyclopentan-1-one;formaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)cyclopentan-1-one;formaldehyde
PubChem CID91302513
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(dimethylamino)cyclopentan-1-one;formaldehyde
SMILESC=O.CN(C)C1CCCC1=O
InChIInChI=1S/C7H13NO.CH2O/c1-8(2)6-4-3-5-7(6)9;1-2/h6H,3-5H2,1-2H3;1H2
InChIKeyXKPDXENNAIFNTA-UHFFFAOYSA-N
XLogP0.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)cyclopentan-1-one;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)cyclopentan-1-one;formaldehyde?
The IUPAC name of 2-(dimethylamino)cyclopentan-1-one;formaldehyde (CID 91302513) is 2-(dimethylamino)cyclopentan-1-one;formaldehyde.
What is the SMILES notation for 2-(dimethylamino)cyclopentan-1-one;formaldehyde?
The canonical SMILES for 2-(dimethylamino)cyclopentan-1-one;formaldehyde is C=O.CN(C)C1CCCC1=O.
What is the InChIKey of 2-(dimethylamino)cyclopentan-1-one;formaldehyde?
The InChIKey is XKPDXENNAIFNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.CH2O/c1-8(2)6-4-3-5-7(6)9;1-2/h6H,3-5H2,1-2H3;1H2.
What are the key properties of 2-(dimethylamino)cyclopentan-1-one;formaldehyde?
2-(dimethylamino)cyclopentan-1-one;formaldehyde has a molecular weight of 157.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)cyclopentan-1-one;formaldehyde is sourced from PubChem (CID 91302513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).