(4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one

C7H10O2 — CID 642551

IUPAC(4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C[C@H]1CO
InChIInChI=1S/C7H10O2/c1-5-2-7(9)3-6(5)4-8/h2,6,8H,3-4H2,1H3/t6-/m0/s1
InChIKeyHRYNLXNUVGEFEY-LURJTMIESA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds1

About (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one

(4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one (PubChem CID 642551) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
PubChem CID642551
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C[C@H]1CO
InChIInChI=1S/C7H10O2/c1-5-2-7(9)3-6(5)4-8/h2,6,8H,3-4H2,1H3/t6-/m0/s1
InChIKeyHRYNLXNUVGEFEY-LURJTMIESA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-5-(2-hydroxyethyl)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
CID 101910086
(4S,5E)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one
CID 117990539
5-Hydroxymethyl-2-cyclohexenone
CID 13073151
4-Hydroxymethylcyclopent-2-en-1-one
CID 58869796
4-(Hydroxymethyl)-2-methylcyclopent-2-en-1-one
CID 91126189
1-[(1S,2R)-2-(hydroxymethyl)-3-methylcyclopent-3-en-1-yl]ethanone
CID 134969127
(4S,5R)-5-hydroxy-3-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 12169196
4-(Hydroxymethyl)-3-isopropyl-5-methylcyclopent-2-en-1-one
CID 13699643
(4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one
CID 14160091
(4R,5S)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one
CID 130949692
(5R)-5-(hydroxymethyl)-3-oxocyclopentene-1-carbaldehyde
CID 131090280
(E,4R)-4-(hydroxymethyl)-3-methylidenehept-5-en-2-one
CID 131248845

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one (CID 642551) is (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one is CC1=CC(=O)C[C@H]1CO.
What is the InChIKey of (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one?
The InChIKey is HRYNLXNUVGEFEY-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O2/c1-5-2-7(9)3-6(5)4-8/h2,6,8H,3-4H2,1H3/t6-/m0/s1.
What are the key properties of (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one?
(4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 642551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).