4-(but-3-yn-2-ylamino)pyrrolidin-2-one

C8H12N2O — CID 106189245

IUPAC4-(but-3-yn-2-ylamino)pyrrolidin-2-one
SMILESC#CC(C)NC1CNC(=O)C1
InChIInChI=1S/C8H12N2O/c1-3-6(2)10-7-4-8(11)9-5-7/h1,6-7,10H,4-5H2,2H3,(H,9,11)
InChIKeyHBAYKRABFJVBKT-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.51
Rot. Bonds2

About 4-(but-3-yn-2-ylamino)pyrrolidin-2-one

4-(but-3-yn-2-ylamino)pyrrolidin-2-one (PubChem CID 106189245) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(but-3-yn-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(but-3-yn-2-ylamino)pyrrolidin-2-one
PubChem CID106189245
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-(but-3-yn-2-ylamino)pyrrolidin-2-one
SMILESC#CC(C)NC1CNC(=O)C1
InChIInChI=1S/C8H12N2O/c1-3-6(2)10-7-4-8(11)9-5-7/h1,6-7,10H,4-5H2,2H3,(H,9,11)
InChIKeyHBAYKRABFJVBKT-UHFFFAOYSA-N
XLogP-0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
CID 106189044
4-(1-cyclobutylethylamino)pyrrolidin-2-one
CID 130978828
3-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 105036476
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 106189208
N,N-diethyl-2-[(5-oxopyrrolidin-3-yl)amino]propanamide
CID 106188940
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide
CID 106189619
2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid
CID 106190605
4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one
CID 106184042
5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
CID 55246437

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-yn-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-(but-3-yn-2-ylamino)pyrrolidin-2-one (CID 106189245) is 4-(but-3-yn-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(but-3-yn-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(but-3-yn-2-ylamino)pyrrolidin-2-one is C#CC(C)NC1CNC(=O)C1.
What is the InChIKey of 4-(but-3-yn-2-ylamino)pyrrolidin-2-one?
The InChIKey is HBAYKRABFJVBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-6(2)10-7-4-8(11)9-5-7/h1,6-7,10H,4-5H2,2H3,(H,9,11).
What are the key properties of 4-(but-3-yn-2-ylamino)pyrrolidin-2-one?
4-(but-3-yn-2-ylamino)pyrrolidin-2-one has a molecular weight of 152.20 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-yn-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106189245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).