2-butan-2-yl-4-methylidenecyclopentan-1-one

C10H16O — CID 129266457

IUPAC2-butan-2-yl-4-methylidenecyclopentan-1-one
SMILESC=C1CC(=O)C(C(C)CC)C1
InChIInChI=1S/C10H16O/c1-4-8(3)9-5-7(2)6-10(9)11/h8-9H,2,4-6H2,1,3H3
InChIKeyFMOJUBUIABGXLF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 2-butan-2-yl-4-methylidenecyclopentan-1-one

2-butan-2-yl-4-methylidenecyclopentan-1-one (PubChem CID 129266457) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-butan-2-yl-4-methylidenecyclopentan-1-one.

Molecular Properties

Compound Name2-butan-2-yl-4-methylidenecyclopentan-1-one
PubChem CID129266457
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-butan-2-yl-4-methylidenecyclopentan-1-one
SMILESC=C1CC(=O)C(C(C)CC)C1
InChIInChI=1S/C10H16O/c1-4-8(3)9-5-7(2)6-10(9)11/h8-9H,2,4-6H2,1,3H3
InChIKeyFMOJUBUIABGXLF-UHFFFAOYSA-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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Related Compounds

(3R)-3-[(2S)-butan-2-yl]-1,2-dimethyl-5-methylidenecyclopentene
CID 170636169
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
3,5-di(butan-2-yl)cyclohexane-1,2-dione
CID 24973311
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
1-butan-2-yl-2-methylidenecyclohexane
CID 123953044
3-butan-2-yl-2,3-dihydroinden-1-one
CID 146549905
(2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one
CID 154825558
3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
CID 147895456
(2S)-2-[(2S)-butan-2-yl]-4-(hydroxymethyl)cyclohexan-1-one
CID 175915940
6-[(2S)-butan-2-yl]cyclohex-2-en-1-one
CID 118141061
3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
CID 71434541

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-methylidenecyclopentan-1-one?
The IUPAC name of 2-butan-2-yl-4-methylidenecyclopentan-1-one (CID 129266457) is 2-butan-2-yl-4-methylidenecyclopentan-1-one.
What is the SMILES notation for 2-butan-2-yl-4-methylidenecyclopentan-1-one?
The canonical SMILES for 2-butan-2-yl-4-methylidenecyclopentan-1-one is C=C1CC(=O)C(C(C)CC)C1.
What is the InChIKey of 2-butan-2-yl-4-methylidenecyclopentan-1-one?
The InChIKey is FMOJUBUIABGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-8(3)9-5-7(2)6-10(9)11/h8-9H,2,4-6H2,1,3H3.
What are the key properties of 2-butan-2-yl-4-methylidenecyclopentan-1-one?
2-butan-2-yl-4-methylidenecyclopentan-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 2-butan-2-yl-4-methylidenecyclopentan-1-one is sourced from PubChem (CID 129266457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).