3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol

C9H16N2O2 — CID 171843230

IUPAC3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
SMILESC#CC(N)CC1CCNC1=O.CO
InChIInChI=1S/C8H12N2O.CH4O/c1-2-7(9)5-6-3-4-10-8(6)11;1-2/h1,6-7H,3-5,9H2,(H,10,11);2H,1H3
InChIKeyOGKXBWXIRHZBKM-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.92
Rot. Bonds2

About 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol

3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol (PubChem CID 171843230) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol.

Molecular Properties

Compound Name3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
PubChem CID171843230
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
SMILESC#CC(N)CC1CCNC1=O.CO
InChIInChI=1S/C8H12N2O.CH4O/c1-2-7(9)5-6-3-4-10-8(6)11;1-2/h1,6-7H,3-5,9H2,(H,10,11);2H,1H3
InChIKeyOGKXBWXIRHZBKM-UHFFFAOYSA-N
XLogP-0.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
CID 162695973
(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanenitrile;methanesulfonic acid
CID 163323580
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
methyl 2-[[(2S)-2-aminopent-4-ynoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166744807
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
CID 58593524
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 163323578
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol?
The IUPAC name of 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol (CID 171843230) is 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol.
What is the SMILES notation for 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol?
The canonical SMILES for 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol is C#CC(N)CC1CCNC1=O.CO.
What is the InChIKey of 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol?
The InChIKey is OGKXBWXIRHZBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.CH4O/c1-2-7(9)5-6-3-4-10-8(6)11;1-2/h1,6-7H,3-5,9H2,(H,10,11);2H,1H3.
What are the key properties of 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol?
3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol has a molecular weight of 184.24 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol is sourced from PubChem (CID 171843230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).