(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile

C10H15N3O — CID 59269846

IUPAC(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile
SMILESC=C(CC(=O)N1CCC[C@H]1C#N)NC
InChIInChI=1S/C10H15N3O/c1-8(12-2)6-10(14)13-5-3-4-9(13)7-11/h9,12H,1,3-6H2,2H3/t9-/m0/s1
InChIKeyBGUGIXHXSLBBKI-VIFPVBQESA-N
MW193.25 g/mol
LogP0.62
Rot. Bonds3

About (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile

(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile (PubChem CID 59269846) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile
PubChem CID59269846
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile
SMILESC=C(CC(=O)N1CCC[C@H]1C#N)NC
InChIInChI=1S/C10H15N3O/c1-8(12-2)6-10(14)13-5-3-4-9(13)7-11/h9,12H,1,3-6H2,2H3/t9-/m0/s1
InChIKeyBGUGIXHXSLBBKI-VIFPVBQESA-N
XLogP0.62
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-iodoacetyl)pyrrolidine-2-carbonitrile
CID 67599806
(2S)-1-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetyl]pyrrolidine-2-carbonitrile
CID 90655547
1-(2-bromoacetyl)pyrrolidine-2-carbonitrile;propane
CID 142254427
1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
CID 85325233
[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl] methanesulfonate
CID 87251070
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
CID 138723008
(2S)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
CID 10987927
(3aS,6aR)-5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 68627003
[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl] sulfite
CID 91287062
1-[2-(butylamino)acetyl]pyrrolidine-2-carbonitrile;ethane
CID 142063767
(3aS,6aR)-5-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;hydrochloride
CID 68627002
1-[4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carbonitrile
CID 91003836

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile (CID 59269846) is (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile is C=C(CC(=O)N1CCC[C@H]1C#N)NC.
What is the InChIKey of (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile?
The InChIKey is BGUGIXHXSLBBKI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(12-2)6-10(14)13-5-3-4-9(13)7-11/h9,12H,1,3-6H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile?
(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 59269846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).