7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one

C17H20O2 — CID 10422553

IUPAC7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one
SMILESCCCC12CCc3cc(O)ccc3C1=C(C)C(=O)C2
InChIInChI=1S/C17H20O2/c1-3-7-17-8-6-12-9-13(18)4-5-14(12)16(17)11(2)15(19)10-17/h4-5,9,18H,3,6-8,10H2,1-2H3
InChIKeyXRMHYMXGGWKQSU-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.87
Rot. Bonds2

About 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one

7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one (PubChem CID 10422553) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one.

Molecular Properties

Compound Name7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one
PubChem CID10422553
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one
SMILESCCCC12CCc3cc(O)ccc3C1=C(C)C(=O)C2
InChIInChI=1S/C17H20O2/c1-3-7-17-8-6-12-9-13(18)4-5-14(12)16(17)11(2)15(19)10-17/h4-5,9,18H,3,6-8,10H2,1-2H3
InChIKeyXRMHYMXGGWKQSU-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one?
The IUPAC name of 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one (CID 10422553) is 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one.
What is the SMILES notation for 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one?
The canonical SMILES for 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one is CCCC12CCc3cc(O)ccc3C1=C(C)C(=O)C2.
What is the InChIKey of 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one?
The InChIKey is XRMHYMXGGWKQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-7-17-8-6-12-9-13(18)4-5-14(12)16(17)11(2)15(19)10-17/h4-5,9,18H,3,6-8,10H2,1-2H3.
What are the key properties of 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one?
7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one has a molecular weight of 256.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one is sourced from PubChem (CID 10422553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).