2,3-dihydrocyclohepta[b]pyran-4-one

C10H8O2 — CID 145264144

IUPAC2,3-dihydrocyclohepta[b]pyran-4-one
SMILESO=C1CCOC2=CC=C=CC=C12
InChIInChI=1S/C10H8O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h2-5H,6-7H2
InChIKeyOPXLNBHJSYFNGJ-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.51
Rot. Bonds

About 2,3-dihydrocyclohepta[b]pyran-4-one

2,3-dihydrocyclohepta[b]pyran-4-one (PubChem CID 145264144) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,3-dihydrocyclohepta[b]pyran-4-one.

Molecular Properties

Compound Name2,3-dihydrocyclohepta[b]pyran-4-one
PubChem CID145264144
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name2,3-dihydrocyclohepta[b]pyran-4-one
SMILESO=C1CCOC2=CC=C=CC=C12
InChIInChI=1S/C10H8O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h2-5H,6-7H2
InChIKeyOPXLNBHJSYFNGJ-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrocyclohepta[b]pyran-4-one?
The IUPAC name of 2,3-dihydrocyclohepta[b]pyran-4-one (CID 145264144) is 2,3-dihydrocyclohepta[b]pyran-4-one.
What is the SMILES notation for 2,3-dihydrocyclohepta[b]pyran-4-one?
The canonical SMILES for 2,3-dihydrocyclohepta[b]pyran-4-one is O=C1CCOC2=CC=C=CC=C12.
What is the InChIKey of 2,3-dihydrocyclohepta[b]pyran-4-one?
The InChIKey is OPXLNBHJSYFNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h2-5H,6-7H2.
What are the key properties of 2,3-dihydrocyclohepta[b]pyran-4-one?
2,3-dihydrocyclohepta[b]pyran-4-one has a molecular weight of 160.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrocyclohepta[b]pyran-4-one is sourced from PubChem (CID 145264144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).