1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one

C11H10O2 — CID 86154026

IUPAC1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one
SMILESO=C1c2ccccc2OC2CCC12
InChIInChI=1S/C11H10O2/c12-11-7-3-1-2-4-9(7)13-10-6-5-8(10)11/h1-4,8,10H,5-6H2
InChIKeyZEDPHJBNAJTYKH-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.04
Rot. Bonds

About 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one

1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one (PubChem CID 86154026) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one.

Molecular Properties

Compound Name1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one
PubChem CID86154026
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one
SMILESO=C1c2ccccc2OC2CCC12
InChIInChI=1S/C11H10O2/c12-11-7-3-1-2-4-9(7)13-10-6-5-8(10)11/h1-4,8,10H,5-6H2
InChIKeyZEDPHJBNAJTYKH-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one?
The IUPAC name of 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one (CID 86154026) is 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one.
What is the SMILES notation for 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one?
The canonical SMILES for 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one is O=C1c2ccccc2OC2CCC12.
What is the InChIKey of 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one?
The InChIKey is ZEDPHJBNAJTYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-11-7-3-1-2-4-9(7)13-10-6-5-8(10)11/h1-4,8,10H,5-6H2.
What are the key properties of 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one?
1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one has a molecular weight of 174.20 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one is sourced from PubChem (CID 86154026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).