7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C16H19NO2 — CID 58939713

IUPAC7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCCCN(C)c1ccc2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C16H19NO2/c1-3-9-17(2)11-7-8-13-12-5-4-6-14(12)16(18)19-15(13)10-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyQQRYOOSBTSUWKI-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.13
Rot. Bonds3

About 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 58939713) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID58939713
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCCCN(C)c1ccc2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C16H19NO2/c1-3-9-17(2)11-7-8-13-12-5-4-6-14(12)16(18)19-15(13)10-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyQQRYOOSBTSUWKI-UHFFFAOYSA-N
XLogP3.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one 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 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 58939713) is 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is CCCN(C)c1ccc2c3c(c(=O)oc2c1)CCC3.
What is the InChIKey of 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is QQRYOOSBTSUWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-9-17(2)11-7-8-13-12-5-4-6-14(12)16(18)19-15(13)10-11/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 257.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methyl(propyl)amino]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 58939713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).