5-pent-3-ynylpyrrolidin-2-one

C9H13NO — CID 11217347

IUPAC5-pent-3-ynylpyrrolidin-2-one
SMILESCC#CCCC1CCC(=O)N1
InChIInChI=1S/C9H13NO/c1-2-3-4-5-8-6-7-9(11)10-8/h8H,4-7H2,1H3,(H,10,11)
InChIKeyRAFVAFFZOXAITA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.07
Rot. Bonds2

About 5-pent-3-ynylpyrrolidin-2-one

5-pent-3-ynylpyrrolidin-2-one (PubChem CID 11217347) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-pent-3-ynylpyrrolidin-2-one.

Molecular Properties

Compound Name5-pent-3-ynylpyrrolidin-2-one
PubChem CID11217347
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-pent-3-ynylpyrrolidin-2-one
SMILESCC#CCCC1CCC(=O)N1
InChIInChI=1S/C9H13NO/c1-2-3-4-5-8-6-7-9(11)10-8/h8H,4-7H2,1H3,(H,10,11)
InChIKeyRAFVAFFZOXAITA-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-ethylpyrrolidin-2-one
CID 13301951
3-(5-Oxopyrrolidin-2-yl)propanamide
CID 13564428
(R)-5-Ethylpyrrolidin-2-one
CID 21792706
(5S)-5-ethylpyrrolidin-2-one
CID 59748000
5-Pentylpyrrolidin-2-one
CID 558390
5-Propylpyrrolidin-2-one
CID 12863079
2-Pyrrolidinone, 5-(2-methylpropyl)-, (5R)-
CID 10898812
5-Butylpyrrolidin-2-one
CID 12863080
5-Hexylpyrrolidin-2-one
CID 13293391
5-Octyl-2-pyrrolidinone
CID 20527048
(5R)-5-decylpyrrolidin-2-one
CID 146162578
5-(3-Oxobutyl)pyrrolidin-2-one
CID 558668

Frequently Asked Questions

What is the IUPAC name of 5-pent-3-ynylpyrrolidin-2-one?
The IUPAC name of 5-pent-3-ynylpyrrolidin-2-one (CID 11217347) is 5-pent-3-ynylpyrrolidin-2-one.
What is the SMILES notation for 5-pent-3-ynylpyrrolidin-2-one?
The canonical SMILES for 5-pent-3-ynylpyrrolidin-2-one is CC#CCCC1CCC(=O)N1.
What is the InChIKey of 5-pent-3-ynylpyrrolidin-2-one?
The InChIKey is RAFVAFFZOXAITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-4-5-8-6-7-9(11)10-8/h8H,4-7H2,1H3,(H,10,11).
What are the key properties of 5-pent-3-ynylpyrrolidin-2-one?
5-pent-3-ynylpyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-3-ynylpyrrolidin-2-one is sourced from PubChem (CID 11217347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).