4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one

C10H12Br2O2 — CID 59027509

IUPAC4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one
SMILESCCCC(O)C1=CC(=O)CC1=C(Br)Br
InChIInChI=1S/C10H12Br2O2/c1-2-3-9(14)7-4-6(13)5-8(7)10(11)12/h4,9,14H,2-3,5H2,1H3
InChIKeyWNUQNBOLHGAAJA-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.05
Rot. Bonds3

About 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one

4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one (PubChem CID 59027509) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one
PubChem CID59027509
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one
SMILESCCCC(O)C1=CC(=O)CC1=C(Br)Br
InChIInChI=1S/C10H12Br2O2/c1-2-3-9(14)7-4-6(13)5-8(7)10(11)12/h4,9,14H,2-3,5H2,1H3
InChIKeyWNUQNBOLHGAAJA-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one?
The IUPAC name of 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one (CID 59027509) is 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one is CCCC(O)C1=CC(=O)CC1=C(Br)Br.
What is the InChIKey of 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one?
The InChIKey is WNUQNBOLHGAAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-2-3-9(14)7-4-6(13)5-8(7)10(11)12/h4,9,14H,2-3,5H2,1H3.
What are the key properties of 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one?
4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one has a molecular weight of 324.01 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibromomethylidene)-3-(1-hydroxybutyl)cyclopent-2-en-1-one is sourced from PubChem (CID 59027509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).