7-methyl-5,6-dihydrocyclopenta[b]pyran

C9H10O — CID 57482098

IUPAC7-methyl-5,6-dihydrocyclopenta[b]pyran
SMILESCC1=C2OC=CC=C2CC1
InChIInChI=1S/C9H10O/c1-7-4-5-8-3-2-6-10-9(7)8/h2-3,6H,4-5H2,1H3
InChIKeyCYIRHTTXSMQKGC-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.52
Rot. Bonds

About 7-methyl-5,6-dihydrocyclopenta[b]pyran

7-methyl-5,6-dihydrocyclopenta[b]pyran (PubChem CID 57482098) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 7-methyl-5,6-dihydrocyclopenta[b]pyran.

Molecular Properties

Compound Name7-methyl-5,6-dihydrocyclopenta[b]pyran
PubChem CID57482098
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name7-methyl-5,6-dihydrocyclopenta[b]pyran
SMILESCC1=C2OC=CC=C2CC1
InChIInChI=1S/C9H10O/c1-7-4-5-8-3-2-6-10-9(7)8/h2-3,6H,4-5H2,1H3
InChIKeyCYIRHTTXSMQKGC-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6-dihydrocyclopenta[b]pyran?
The IUPAC name of 7-methyl-5,6-dihydrocyclopenta[b]pyran (CID 57482098) is 7-methyl-5,6-dihydrocyclopenta[b]pyran.
What is the SMILES notation for 7-methyl-5,6-dihydrocyclopenta[b]pyran?
The canonical SMILES for 7-methyl-5,6-dihydrocyclopenta[b]pyran is CC1=C2OC=CC=C2CC1.
What is the InChIKey of 7-methyl-5,6-dihydrocyclopenta[b]pyran?
The InChIKey is CYIRHTTXSMQKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-4-5-8-3-2-6-10-9(7)8/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-methyl-5,6-dihydrocyclopenta[b]pyran?
7-methyl-5,6-dihydrocyclopenta[b]pyran has a molecular weight of 134.18 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6-dihydrocyclopenta[b]pyran is sourced from PubChem (CID 57482098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).