(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one

C8H12N2O — CID 166066315

IUPAC(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
SMILESC#CCNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H12N2O/c1-2-5-9-6-7-3-4-8(11)10-7/h1,7,9H,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeyZGOYQBHJSIFJIK-ZETCQYMHSA-N
MW152.20 g/mol
LogP-0.51
Rot. Bonds3

About (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one

(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one (PubChem CID 166066315) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
PubChem CID166066315
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
SMILESC#CCNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H12N2O/c1-2-5-9-6-7-3-4-8(11)10-7/h1,7,9H,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeyZGOYQBHJSIFJIK-ZETCQYMHSA-N
XLogP-0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one (CID 166066315) is (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one is C#CCNC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one?
The InChIKey is ZGOYQBHJSIFJIK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-5-9-6-7-3-4-8(11)10-7/h1,7,9H,3-6H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one?
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one has a molecular weight of 152.20 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 166066315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).