3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one

C12H18N2O — CID 106224382

IUPAC3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one
SMILESC#CC(CC)N1CCC(NC2CC2)C1=O
InChIInChI=1S/C12H18N2O/c1-3-10(4-2)14-8-7-11(12(14)15)13-9-5-6-9/h1,9-11,13H,4-8H2,2H3
InChIKeyNDBSEIRTWKJKAU-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.75
Rot. Bonds4

About 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one

3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one (PubChem CID 106224382) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one
PubChem CID106224382
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one
SMILESC#CC(CC)N1CCC(NC2CC2)C1=O
InChIInChI=1S/C12H18N2O/c1-3-10(4-2)14-8-7-11(12(14)15)13-9-5-6-9/h1,9-11,13H,4-8H2,2H3
InChIKeyNDBSEIRTWKJKAU-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-1-pent-1-yn-3-ylpiperidin-2-one
CID 106224372
1-but-3-yn-2-yl-3-(cyclopropylamino)piperidin-2-one
CID 114420365
3-(cyclopropylamino)-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-2-one
CID 65313580
3-bromo-1-hex-1-yn-3-ylpiperidin-2-one
CID 106223844
3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
CID 106137685
1-pent-1-yn-3-yl-1,3-diazinane-2,4-dione
CID 106225119
3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 65035410
3,4-dimethyl-1-pent-1-yn-3-ylpyrrolidine-2,5-dione
CID 106226501
3-(ethylamino)-1-hexan-3-ylpyrrolidin-2-one
CID 62119682
3-pent-1-yn-3-yl-1,3-oxazinan-2-one
CID 106226498
3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one
CID 106253597
2-hex-1-yn-3-yl-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 106225015

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one (CID 106224382) is 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one is C#CC(CC)N1CCC(NC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one?
The InChIKey is NDBSEIRTWKJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10(4-2)14-8-7-11(12(14)15)13-9-5-6-9/h1,9-11,13H,4-8H2,2H3.
What are the key properties of 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one?
3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one has a molecular weight of 206.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-pent-1-yn-3-ylpyrrolidin-2-one is sourced from PubChem (CID 106224382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).