4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

C19H25NO2 — CID 942403

IUPAC4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
SMILESCCCN(CCC)Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C19H25NO2/c1-3-8-20(9-4-2)13-16-12-19(21)22-18-11-15-7-5-6-14(15)10-17(16)18/h10-12H,3-9,13H2,1-2H3
InChIKeyLDGKVBGZRQRJBK-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.90
Rot. Bonds6

About 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one (PubChem CID 942403) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
PubChem CID942403
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
SMILESCCCN(CCC)Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C19H25NO2/c1-3-8-20(9-4-2)13-16-12-19(21)22-18-11-15-7-5-6-14(15)10-17(16)18/h10-12H,3-9,13H2,1-2H3
InChIKeyLDGKVBGZRQRJBK-UHFFFAOYSA-N
XLogP3.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one?
The IUPAC name of 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one (CID 942403) is 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one.
What is the SMILES notation for 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one?
The canonical SMILES for 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one is CCCN(CCC)Cc1cc(=O)oc2cc3c(cc12)CCC3.
What is the InChIKey of 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one?
The InChIKey is LDGKVBGZRQRJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-8-20(9-4-2)13-16-12-19(21)22-18-11-15-7-5-6-14(15)10-17(16)18/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one?
4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one is sourced from PubChem (CID 942403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).