1,2-dipropylcyclopenta[b]naphthalen-3-one

C19H20O — CID 10659285

IUPAC1,2-dipropylcyclopenta[b]naphthalen-3-one
SMILESCCCC1=C(CCC)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C19H20O/c1-3-7-15-16(8-4-2)19(20)18-12-14-10-6-5-9-13(14)11-17(15)18/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyPTYZCAKASFQSSI-UHFFFAOYSA-N
MW264.37 g/mol
LogP5.39
Rot. Bonds4

About 1,2-dipropylcyclopenta[b]naphthalen-3-one

1,2-dipropylcyclopenta[b]naphthalen-3-one (PubChem CID 10659285) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,2-dipropylcyclopenta[b]naphthalen-3-one.

Molecular Properties

Compound Name1,2-dipropylcyclopenta[b]naphthalen-3-one
PubChem CID10659285
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1,2-dipropylcyclopenta[b]naphthalen-3-one
SMILESCCCC1=C(CCC)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C19H20O/c1-3-7-15-16(8-4-2)19(20)18-12-14-10-6-5-9-13(14)11-17(15)18/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyPTYZCAKASFQSSI-UHFFFAOYSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dipropylcyclopenta[b]naphthalen-3-one with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-2,3-dipropylinden-1-one
CID 10490816
5-fluoro-2,3-dipropylinden-1-one
CID 132609078
ethane;pentacene-6,13-dione
CID 91293848
2,3-dibutylinden-1-one
CID 10657817
10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one
CID 628791
2-methyl-3-propylnaphthalene-1,4-dione
CID 12765187
heptacene-7,16-dione
CID 44720481
2-methyl-3-propylinden-1-one
CID 10465047
2,3-dihexadecoxytetracene-5,12-dione
CID 86042647
3-ethylanthracene-1,2-dione
CID 19425075
2-propan-2-yloxy-3-propylnaphthalene-1,4-dione
CID 19872802
1,2,3,4-tetramethylpentacene-6,13-dione
CID 141286138

Frequently Asked Questions

What is the IUPAC name of 1,2-dipropylcyclopenta[b]naphthalen-3-one?
The IUPAC name of 1,2-dipropylcyclopenta[b]naphthalen-3-one (CID 10659285) is 1,2-dipropylcyclopenta[b]naphthalen-3-one.
What is the SMILES notation for 1,2-dipropylcyclopenta[b]naphthalen-3-one?
The canonical SMILES for 1,2-dipropylcyclopenta[b]naphthalen-3-one is CCCC1=C(CCC)c2cc3ccccc3cc2C1=O.
What is the InChIKey of 1,2-dipropylcyclopenta[b]naphthalen-3-one?
The InChIKey is PTYZCAKASFQSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-3-7-15-16(8-4-2)19(20)18-12-14-10-6-5-9-13(14)11-17(15)18/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of 1,2-dipropylcyclopenta[b]naphthalen-3-one?
1,2-dipropylcyclopenta[b]naphthalen-3-one has a molecular weight of 264.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipropylcyclopenta[b]naphthalen-3-one is sourced from PubChem (CID 10659285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).