(5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C19H18O2 — CID 102404266

IUPAC(5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@H]1C(=O)C2=C(CCCO2)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H18O2/c1-12-17(16-7-4-10-21-19(16)18(12)20)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11-12,17H,4,7,10H2,1H3/t12-,17+/m1/s1
InChIKeyPKMJURMVCYUULG-PXAZEXFGSA-N
MW278.35 g/mol
LogP4.21
Rot. Bonds1

About (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

(5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 102404266) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID102404266
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@H]1C(=O)C2=C(CCCO2)[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H18O2/c1-12-17(16-7-4-10-21-19(16)18(12)20)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11-12,17H,4,7,10H2,1H3/t12-,17+/m1/s1
InChIKeyPKMJURMVCYUULG-PXAZEXFGSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 102404266) is (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is C[C@H]1C(=O)C2=C(CCCO2)[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is PKMJURMVCYUULG-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H18O2/c1-12-17(16-7-4-10-21-19(16)18(12)20)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11-12,17H,4,7,10H2,1H3/t12-,17+/m1/s1.
What are the key properties of (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 278.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-methyl-5-naphthalen-2-yl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 102404266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).