(4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one

C10H12O2 — CID 13482461

IUPAC(4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one
SMILESC=C=CC[C@H](O)[C@H]1C=CC(=O)C1
InChIInChI=1S/C10H12O2/c1-2-3-4-10(12)8-5-6-9(11)7-8/h3,5-6,8,10,12H,1,4,7H2/t8-,10-/m0/s1
InChIKeyXHGRLCKUKLVVGZ-WPRPVWTQSA-N
MW164.20 g/mol
LogP1.22
Rot. Bonds3

About (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one

(4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one (PubChem CID 13482461) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one
PubChem CID13482461
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one
SMILESC=C=CC[C@H](O)[C@H]1C=CC(=O)C1
InChIInChI=1S/C10H12O2/c1-2-3-4-10(12)8-5-6-9(11)7-8/h3,5-6,8,10,12H,1,4,7H2/t8-,10-/m0/s1
InChIKeyXHGRLCKUKLVVGZ-WPRPVWTQSA-N
XLogP1.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one (CID 13482461) is (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one is C=C=CC[C@H](O)[C@H]1C=CC(=O)C1.
What is the InChIKey of (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one?
The InChIKey is XHGRLCKUKLVVGZ-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-4-10(12)8-5-6-9(11)7-8/h3,5-6,8,10,12H,1,4,7H2/t8-,10-/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one?
(4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-hydroxypenta-3,4-dienyl]cyclopent-2-en-1-one is sourced from PubChem (CID 13482461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).