(5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one

C10H7BrO2 — CID 59187622

IUPAC(5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one
SMILESO=C1C=C(Br)/C(=C/C2=CC=CC2)O1
InChIInChI=1S/C10H7BrO2/c11-8-6-10(12)13-9(8)5-7-3-1-2-4-7/h1-3,5-6H,4H2/b9-5-
InChIKeyKVRPEEJOZAGPIN-UITAMQMPSA-N
MW239.07 g/mol
LogP2.59
Rot. Bonds1

About (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one

(5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one (PubChem CID 59187622) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one
PubChem CID59187622
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name(5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one
SMILESO=C1C=C(Br)/C(=C/C2=CC=CC2)O1
InChIInChI=1S/C10H7BrO2/c11-8-6-10(12)13-9(8)5-7-3-1-2-4-7/h1-3,5-6H,4H2/b9-5-
InChIKeyKVRPEEJOZAGPIN-UITAMQMPSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one?
The IUPAC name of (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one (CID 59187622) is (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one.
What is the SMILES notation for (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one?
The canonical SMILES for (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one is O=C1C=C(Br)/C(=C/C2=CC=CC2)O1.
What is the InChIKey of (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one?
The InChIKey is KVRPEEJOZAGPIN-UITAMQMPSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-8-6-10(12)13-9(8)5-7-3-1-2-4-7/h1-3,5-6H,4H2/b9-5-.
What are the key properties of (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one?
(5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one has a molecular weight of 239.07 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-bromo-5-(cyclopenta-1,3-dien-1-ylmethylidene)furan-2-one is sourced from PubChem (CID 59187622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).