cyclohepta[c]pyran

C10H8O — CID 56623155

IUPACcyclohepta[c]pyran
SMILESC1=CC=C2C=COC=C2C=C1
InChIInChI=1S/C10H8O/c1-2-4-9-6-7-11-8-10(9)5-3-1/h1-8H
InChIKeyFDGHCGVDHWDVRE-UHFFFAOYSA-N
MW144.17 g/mol
LogP2.47
Rot. Bonds

About cyclohepta[c]pyran

cyclohepta[c]pyran (PubChem CID 56623155) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is cyclohepta[c]pyran.

Molecular Properties

Compound Namecyclohepta[c]pyran
PubChem CID56623155
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Namecyclohepta[c]pyran
SMILESC1=CC=C2C=COC=C2C=C1
InChIInChI=1S/C10H8O/c1-2-4-9-6-7-11-8-10(9)5-3-1/h1-8H
InChIKeyFDGHCGVDHWDVRE-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[c]pyran?
The IUPAC name of cyclohepta[c]pyran (CID 56623155) is cyclohepta[c]pyran.
What is the SMILES notation for cyclohepta[c]pyran?
The canonical SMILES for cyclohepta[c]pyran is C1=CC=C2C=COC=C2C=C1.
What is the InChIKey of cyclohepta[c]pyran?
The InChIKey is FDGHCGVDHWDVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c1-2-4-9-6-7-11-8-10(9)5-3-1/h1-8H.
What are the key properties of cyclohepta[c]pyran?
cyclohepta[c]pyran has a molecular weight of 144.17 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[c]pyran is sourced from PubChem (CID 56623155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).