(4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one

C9H14O — CID 10486910

IUPAC(4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
SMILESCC1=C[C@@H](C(C)C)CC1=O
InChIInChI=1S/C9H14O/c1-6(2)8-4-7(3)9(10)5-8/h4,6,8H,5H2,1-3H3/t8-/m1/s1
InChIKeyZWIRBPFFGVRTCF-MRVPVSSYSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds1

About (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one

(4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one (PubChem CID 10486910) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
PubChem CID10486910
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
SMILESCC1=C[C@@H](C(C)C)CC1=O
InChIInChI=1S/C9H14O/c1-6(2)8-4-7(3)9(10)5-8/h4,6,8H,5H2,1-3H3/t8-/m1/s1
InChIKeyZWIRBPFFGVRTCF-MRVPVSSYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one (CID 10486910) is (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one is CC1=C[C@@H](C(C)C)CC1=O.
What is the InChIKey of (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is ZWIRBPFFGVRTCF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14O/c1-6(2)8-4-7(3)9(10)5-8/h4,6,8H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one?
(4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 10486910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).