1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one

C10H15NO — CID 130660557

IUPAC1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
SMILESC#CCCC(=O)N1CCC(C)C1
InChIInChI=1S/C10H15NO/c1-3-4-5-10(12)11-7-6-9(2)8-11/h1,9H,4-8H2,2H3
InChIKeyBWZDBENFCPLHAK-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.27
Rot. Bonds2

About 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one

1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one (PubChem CID 130660557) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
PubChem CID130660557
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
SMILESC#CCCC(=O)N1CCC(C)C1
InChIInChI=1S/C10H15NO/c1-3-4-5-10(12)11-7-6-9(2)8-11/h1,9H,4-8H2,2H3
InChIKeyBWZDBENFCPLHAK-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.27
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-[3-(aminomethyl)pyrrolidin-1-yl]pent-4-yn-1-one
CID 103840848
1-(3-hydroxy-5-methylpiperidin-1-yl)pent-4-yn-1-one
CID 130987806
1-pent-4-ynoylpiperidine-4-carboxylic acid
CID 103840880
1-(3-methylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107023837
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-[3-(aminomethyl)piperidin-1-yl]pent-4-yn-1-one
CID 103840808
1-[3-(dimethylamino)pyrrolidin-1-yl]hex-5-yn-1-one
CID 87057862
4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 86899016
ethane;1-(1-methylpiperidin-4-yl)butan-1-one;1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 163264677
1-(4-ethylpiperidin-1-yl)hex-5-yn-1-one
CID 89040804
but-3-ynyl 4-methylpiperidine-1-carboxylate
CID 89002890
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one?
The IUPAC name of 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one (CID 130660557) is 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one.
What is the SMILES notation for 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one?
The canonical SMILES for 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one is C#CCCC(=O)N1CCC(C)C1.
What is the InChIKey of 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one?
The InChIKey is BWZDBENFCPLHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-5-10(12)11-7-6-9(2)8-11/h1,9H,4-8H2,2H3.
What are the key properties of 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one?
1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one is sourced from PubChem (CID 130660557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).