(2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one

C10H16O — CID 643100

IUPAC(2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one
SMILESCC(C)=CC[C@@H]1CCCC1=O
InChIInChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyNKESYZVOSBUNKQ-VIFPVBQESA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one

(2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one (PubChem CID 643100) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one
PubChem CID643100
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one
SMILESCC(C)=CC[C@@H]1CCCC1=O
InChIInChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyNKESYZVOSBUNKQ-VIFPVBQESA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-pseudo-ionone
CID 102604
3-Methyl-5-propylcyclohex-2-en-1-one
CID 3782139
2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone
CID 6437428
Nerone
CID 35785
1,4-Dimethyl-3-cyclohexenyl methyl ketone
CID 65289
4-Acetyl-1-methylcyclohexene
CID 93019
2-(2-(4-Methylcyclohex-3-en-1-yl)propyl)cyclopentan-1-one
CID 175661
2-(2-Pentenyl)cyclopentanone, (2E)-
CID 6437002
6-Octen-3-one, 4,7-dimethyl-
CID 102844
2-(2-Octenyl)cyclopentanone, (E)-
CID 5367848
2-(3-Methyl-2-butenyl)cyclopentanone
CID 102835
3,5-Dimethylcyclohex-2-en-1-one
CID 14291

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one?
The IUPAC name of (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one (CID 643100) is (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one.
What is the SMILES notation for (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one?
The canonical SMILES for (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one is CC(C)=CC[C@@H]1CCCC1=O.
What is the InChIKey of (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one?
The InChIKey is NKESYZVOSBUNKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one?
(2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbut-2-enyl)cyclopentan-1-one is sourced from PubChem (CID 643100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).