4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile

C23H19N5O — CID 8900417

IUPAC4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(/C=N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc(C#N)n1C
InChIInChI=1S/C23H19N5O/c1-16-18(12-19(13-24)27(16)2)14-25-26-22-20-10-6-7-11-21(20)28(23(22)29)15-17-8-4-3-5-9-17/h3-12,14H,15H2,1-2H3/b25-14-,26-22-
InChIKeyRTTTVZJQOWCCMV-UFIQNKAHSA-N
MW381.44 g/mol
LogP3.58
Rot. Bonds4

About 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 8900417) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID8900417
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(/C=N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc(C#N)n1C
InChIInChI=1S/C23H19N5O/c1-16-18(12-19(13-24)27(16)2)14-25-26-22-20-10-6-7-11-21(20)28(23(22)29)15-17-8-4-3-5-9-17/h3-12,14H,15H2,1-2H3/b25-14-,26-22-
InChIKeyRTTTVZJQOWCCMV-UFIQNKAHSA-N
XLogP3.58
TPSA73.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', '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-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-4-nitrophenolate
CID 7302313
1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 5116562
1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile
CID 9074428
(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 135733167
1,5-dimethyl-4-[(Z)-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]iminomethyl]pyrrole-2-carbonitrile
CID 9349930
1-benzyl-3-propan-2-ylideneindol-2-one
CID 86011493
1-benzyl-3-(4-bromophenyl)iminoindol-2-one
CID 24799240
(3E)-1-ethyl-3-[(Z)-(5-methylthiophen-2-yl)methylidenehydrazinylidene]indol-2-one
CID 9122516
(3Z)-1-benzyl-3-[(Z)-1-pyridin-2-ylethylidenehydrazinylidene]indol-2-one
CID 9408852
(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9460349
(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
CID 9122414
3-[N-methyl-4-[(Z)-[(E)-(2-oxo-1-propylindol-3-ylidene)hydrazinylidene]methyl]anilino]propanenitrile
CID 9258983

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 8900417) is 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(/C=N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc(C#N)n1C.
What is the InChIKey of 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is RTTTVZJQOWCCMV-UFIQNKAHSA-N. The full InChI is InChI=1S/C23H19N5O/c1-16-18(12-19(13-24)27(16)2)14-25-26-22-20-10-6-7-11-21(20)28(23(22)29)15-17-8-4-3-5-9-17/h3-12,14H,15H2,1-2H3/b25-14-,26-22-.
What are the key properties of 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 8900417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).