1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one

C14H22O — CID 114964885

IUPAC1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one
SMILESCC#CCC(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H22O/c1-4-5-8-13(15)14(11-12(2)3)9-6-7-10-14/h12H,6-11H2,1-3H3
InChIKeyQBIGECAAXPJLRV-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one

1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one (PubChem CID 114964885) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one
PubChem CID114964885
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one
SMILESCC#CCC(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H22O/c1-4-5-8-13(15)14(11-12(2)3)9-6-7-10-14/h12H,6-11H2,1-3H3
InChIKeyQBIGECAAXPJLRV-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopentyl)pent-3-yn-1-one
CID 114964878
1-(1-aminocyclohexyl)pent-3-yn-1-one
CID 116550433
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
CID 58210371
2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114967627
1-(1-ethylcyclopentyl)hex-4-yn-1-one
CID 115801596
1-[1-(2-methylpropyl)cyclopentyl]-4-methylsulfonylbutan-1-one
CID 114965051
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-one
CID 79058731
N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114390037
1-(4-propylpiperidin-4-yl)pent-3-yn-1-one
CID 116569082
N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 120504549
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one (CID 114964885) is 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one is CC#CCC(=O)C1(CC(C)C)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one?
The InChIKey is QBIGECAAXPJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-5-8-13(15)14(11-12(2)3)9-6-7-10-14/h12H,6-11H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one?
1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one is sourced from PubChem (CID 114964885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).