1-methylcyclopenta[g]isochromene

C13H10O — CID 19010385

IUPAC1-methylcyclopenta[g]isochromene
SMILESCc1occc2cc3cccc3cc12
InChIInChI=1S/C13H10O/c1-9-13-8-11-4-2-3-10(11)7-12(13)5-6-14-9/h2-8H,1H3
InChIKeyPNRRSGWZUHVBHM-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.89
Rot. Bonds

About 1-methylcyclopenta[g]isochromene

1-methylcyclopenta[g]isochromene (PubChem CID 19010385) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-methylcyclopenta[g]isochromene.

Molecular Properties

Compound Name1-methylcyclopenta[g]isochromene
PubChem CID19010385
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name1-methylcyclopenta[g]isochromene
SMILESCc1occc2cc3cccc3cc12
InChIInChI=1S/C13H10O/c1-9-13-8-11-4-2-3-10(11)7-12(13)5-6-14-9/h2-8H,1H3
InChIKeyPNRRSGWZUHVBHM-UHFFFAOYSA-N
XLogP3.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopenta[g]isochromene?
The IUPAC name of 1-methylcyclopenta[g]isochromene (CID 19010385) is 1-methylcyclopenta[g]isochromene.
What is the SMILES notation for 1-methylcyclopenta[g]isochromene?
The canonical SMILES for 1-methylcyclopenta[g]isochromene is Cc1occc2cc3cccc3cc12.
What is the InChIKey of 1-methylcyclopenta[g]isochromene?
The InChIKey is PNRRSGWZUHVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-9-13-8-11-4-2-3-10(11)7-12(13)5-6-14-9/h2-8H,1H3.
What are the key properties of 1-methylcyclopenta[g]isochromene?
1-methylcyclopenta[g]isochromene has a molecular weight of 182.22 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopenta[g]isochromene is sourced from PubChem (CID 19010385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).