4-(prop-2-ynylamino)pyrrolidin-2-one

C7H10N2O — CID 106184297

IUPAC4-(prop-2-ynylamino)pyrrolidin-2-one
SMILESC#CCNC1CNC(=O)C1
InChIInChI=1S/C7H10N2O/c1-2-3-8-6-4-7(10)9-5-6/h1,6,8H,3-5H2,(H,9,10)
InChIKeyMGLMUUMFGQTGEK-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.90
Rot. Bonds2

About 4-(prop-2-ynylamino)pyrrolidin-2-one

4-(prop-2-ynylamino)pyrrolidin-2-one (PubChem CID 106184297) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(prop-2-ynylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(prop-2-ynylamino)pyrrolidin-2-one
PubChem CID106184297
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-(prop-2-ynylamino)pyrrolidin-2-one
SMILESC#CCNC1CNC(=O)C1
InChIInChI=1S/C7H10N2O/c1-2-3-8-6-4-7(10)9-5-6/h1,6,8H,3-5H2,(H,9,10)
InChIKeyMGLMUUMFGQTGEK-UHFFFAOYSA-N
XLogP-0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.90
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

(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
4-(but-3-yn-2-ylamino)pyrrolidin-2-one
CID 106189245
4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one
CID 106182603
4-(2-cyclopropylethylamino)pyrrolidin-2-one
CID 106189081
4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one
CID 114155088
5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile
CID 106188995
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
2,2-dimethyl-3-[(5-oxopyrrolidin-3-yl)amino]propanoic acid
CID 106189408
4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 106188976
4-[(1-methylpiperidin-4-yl)methylamino]pyrrolidin-2-one
CID 106184277
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
CID 114155915
N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 105056076

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-ynylamino)pyrrolidin-2-one?
The IUPAC name of 4-(prop-2-ynylamino)pyrrolidin-2-one (CID 106184297) is 4-(prop-2-ynylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(prop-2-ynylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(prop-2-ynylamino)pyrrolidin-2-one is C#CCNC1CNC(=O)C1.
What is the InChIKey of 4-(prop-2-ynylamino)pyrrolidin-2-one?
The InChIKey is MGLMUUMFGQTGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-8-6-4-7(10)9-5-6/h1,6,8H,3-5H2,(H,9,10).
What are the key properties of 4-(prop-2-ynylamino)pyrrolidin-2-one?
4-(prop-2-ynylamino)pyrrolidin-2-one has a molecular weight of 138.17 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-ynylamino)pyrrolidin-2-one is sourced from PubChem (CID 106184297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).