2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile

C14H13N5O — CID 169340557

IUPAC2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1CN1CCCC1=O
InChIInChI=1S/C14H13N5O/c15-8-12(9-16)17-18-13-5-2-1-4-11(13)10-19-7-3-6-14(19)20/h1-2,4-5,18H,3,6-7,10H2
InChIKeyPTFOQQFJRVYAPN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.62
Rot. Bonds4

About 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile

2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340557) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340557
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1CN1CCCC1=O
InChIInChI=1S/C14H13N5O/c15-8-12(9-16)17-18-13-5-2-1-4-11(13)10-19-7-3-6-14(19)20/h1-2,4-5,18H,3,6-7,10H2
InChIKeyPTFOQQFJRVYAPN-UHFFFAOYSA-N
XLogP1.62
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(2-oxopyrrolidin-1-yl)methyl]anilino]methylidene]propanedinitrile
CID 168544160
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
1-[[2-(2,1,3-benzothiadiazol-4-ylmethylamino)phenyl]methyl]pyrrolidin-2-one
CID 146144993
3-chloro-6-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-2-carbonitrile
CID 133350980
dimethyl (E)-2-[2-[(2-oxopyrrolidin-1-yl)methyl]anilino]but-2-enedioate
CID 168568234
1,3-diethyl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110914902
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
1-tert-butyl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052596
2-methyl-1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine
CID 111124369
1-benzyl-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110952355
3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile
CID 24702661

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile (CID 169340557) is 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccccc1CN1CCCC1=O.
What is the InChIKey of 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is PTFOQQFJRVYAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-8-12(9-16)17-18-13-5-2-1-4-11(13)10-19-7-3-6-14(19)20/h1-2,4-5,18H,3,6-7,10H2.
What are the key properties of 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile?
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 267.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).