5-methyl-3aH-cyclopenta[a]naphthalene

C14H12 — CID 20785931

IUPAC5-methyl-3aH-cyclopenta[a]naphthalene
SMILESCC1=CC2C=CC=C2c2ccccc21
InChIInChI=1S/C14H12/c1-10-9-11-5-4-8-13(11)14-7-3-2-6-12(10)14/h2-9,11H,1H3
InChIKeyHUTLCGMWPWOLCF-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.67
Rot. Bonds

About 5-methyl-3aH-cyclopenta[a]naphthalene

5-methyl-3aH-cyclopenta[a]naphthalene (PubChem CID 20785931) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-methyl-3aH-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name5-methyl-3aH-cyclopenta[a]naphthalene
PubChem CID20785931
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name5-methyl-3aH-cyclopenta[a]naphthalene
SMILESCC1=CC2C=CC=C2c2ccccc21
InChIInChI=1S/C14H12/c1-10-9-11-5-4-8-13(11)14-7-3-2-6-12(10)14/h2-9,11H,1H3
InChIKeyHUTLCGMWPWOLCF-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3aH-cyclopenta[a]naphthalene?
The IUPAC name of 5-methyl-3aH-cyclopenta[a]naphthalene (CID 20785931) is 5-methyl-3aH-cyclopenta[a]naphthalene.
What is the SMILES notation for 5-methyl-3aH-cyclopenta[a]naphthalene?
The canonical SMILES for 5-methyl-3aH-cyclopenta[a]naphthalene is CC1=CC2C=CC=C2c2ccccc21.
What is the InChIKey of 5-methyl-3aH-cyclopenta[a]naphthalene?
The InChIKey is HUTLCGMWPWOLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-10-9-11-5-4-8-13(11)14-7-3-2-6-12(10)14/h2-9,11H,1H3.
What are the key properties of 5-methyl-3aH-cyclopenta[a]naphthalene?
5-methyl-3aH-cyclopenta[a]naphthalene has a molecular weight of 180.25 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3aH-cyclopenta[a]naphthalene is sourced from PubChem (CID 20785931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).