(3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one

C10H16O — CID 15871769

IUPAC(3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
SMILESC=C(C)CC1C(=O)CC[C@H]1C
InChIInChI=1S/C10H16O/c1-7(2)6-9-8(3)4-5-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9?/m1/s1
InChIKeyOXQDDKYKZYKWGW-VEDVMXKPSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one

(3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one (PubChem CID 15871769) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
PubChem CID15871769
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
SMILESC=C(C)CC1C(=O)CC[C@H]1C
InChIInChI=1S/C10H16O/c1-7(2)6-9-8(3)4-5-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9?/m1/s1
InChIKeyOXQDDKYKZYKWGW-VEDVMXKPSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The IUPAC name of (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one (CID 15871769) is (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one.
What is the SMILES notation for (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The canonical SMILES for (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one is C=C(C)CC1C(=O)CC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one?
The InChIKey is OXQDDKYKZYKWGW-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)6-9-8(3)4-5-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9?/m1/s1.
What are the key properties of (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one?
(3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one is sourced from PubChem (CID 15871769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).