(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine

C13H14N4 — CID 141023802

IUPAC(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine
SMILESNc1ccc2c(c1N)/C(=C/c1ccc[nH]1)CN2
InChIInChI=1S/C13H14N4/c14-10-3-4-11-12(13(10)15)8(7-17-11)6-9-2-1-5-16-9/h1-6,16-17H,7,14-15H2/b8-6+
InChIKeyMPCJITNPUQMBJU-SOFGYWHQSA-N
MW226.28 g/mol
LogP2.15
Rot. Bonds1

About (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine

(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine (PubChem CID 141023802) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine.

Molecular Properties

Compound Name(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine
PubChem CID141023802
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine
SMILESNc1ccc2c(c1N)/C(=C/c1ccc[nH]1)CN2
InChIInChI=1S/C13H14N4/c14-10-3-4-11-12(13(10)15)8(7-17-11)6-9-2-1-5-16-9/h1-6,16-17H,7,14-15H2/b8-6+
InChIKeyMPCJITNPUQMBJU-SOFGYWHQSA-N
XLogP2.15
TPSA79.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 67418156
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
CID 66556399
methanamine;1H-pyrrole-2-carbaldehyde
CID 172737516
(2Z)-4,4,5-trimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole
CID 134275552
1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
CID 695477
4-ethynyl-5-pyridin-2-yl-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 54260131
(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde
CID 134275576
molecular hydrogen;1H-pyrrole-2-carbaldehyde
CID 142199801
1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine
CID 4269899
(3Z)-5-nitro-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 10658651
(E)-1-(1H-pyrrol-2-yl)-N-(1,3-thiazol-2-yl)methanimine
CID 135447720
2-(1-methylcyclodecyl)-1H-pyrrole
CID 173176370

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine?
The IUPAC name of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine (CID 141023802) is (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine.
What is the SMILES notation for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine?
The canonical SMILES for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine is Nc1ccc2c(c1N)/C(=C/c1ccc[nH]1)CN2.
What is the InChIKey of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine?
The InChIKey is MPCJITNPUQMBJU-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H14N4/c14-10-3-4-11-12(13(10)15)8(7-17-11)6-9-2-1-5-16-9/h1-6,16-17H,7,14-15H2/b8-6+.
What are the key properties of (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine?
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine has a molecular weight of 226.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1H-pyrrol-2-ylmethylidene)-1,2-dihydroindole-4,5-diamine is sourced from PubChem (CID 141023802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).