cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone

C14H20O — CID 135067667

IUPACcyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone
SMILESCC(C)=CC1CCC(C)=C1C(=O)C1CC1
InChIInChI=1S/C14H20O/c1-9(2)8-12-5-4-10(3)13(12)14(15)11-6-7-11/h8,11-12H,4-7H2,1-3H3
InChIKeyMORCRZWLWZTOJA-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.66
Rot. Bonds3

About cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone

cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone (PubChem CID 135067667) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone
PubChem CID135067667
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Namecyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone
SMILESCC(C)=CC1CCC(C)=C1C(=O)C1CC1
InChIInChI=1S/C14H20O/c1-9(2)8-12-5-4-10(3)13(12)14(15)11-6-7-11/h8,11-12H,4-7H2,1-3H3
InChIKeyMORCRZWLWZTOJA-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.66
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

3-(2-methylprop-1-enyl)pyrrolidin-2-one
CID 70521733
(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
CID 91748721
(1E)-1-(3-methylbut-2-enylidene)-2-(2-methylprop-1-enyl)cyclohexane
CID 10242027
1-[(5R)-2,4,4-trimethyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]ethanone
CID 102030832
1,3-bis(2-methylprop-1-enyl)cyclopentane;butan-2-one
CID 159405315
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159
1-(2-methylcyclobuten-1-yl)ethanone
CID 15560815
2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde
CID 175086713
[(1R)-2,3-dimethylcyclopent-2-en-1-yl] acetate
CID 162420340
(1R,3S,5S)-3-(2-methylprop-1-enyl)bicyclo[3.1.0]hexan-2-one
CID 124820528
(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane
CID 102151765
cyclopropyl-(5-methylpyrazin-2-yl)methanone
CID 118508128

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone (CID 135067667) is cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone is CC(C)=CC1CCC(C)=C1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone?
The InChIKey is MORCRZWLWZTOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9(2)8-12-5-4-10(3)13(12)14(15)11-6-7-11/h8,11-12H,4-7H2,1-3H3.
What are the key properties of cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone?
cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone has a molecular weight of 204.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone is sourced from PubChem (CID 135067667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).