1-phenylpyrrole-2,5-diimine

C10H9N3 — CID 146710900

IUPAC1-phenylpyrrole-2,5-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])N1c1ccccc1
InChIInChI=1S/C10H9N3/c11-9-6-7-10(12)13(9)8-4-2-1-3-5-8/h1-7,11-12H/b11-9+,12-10+
InChIKeyRBLOBYZOHZQBQD-WGDLNXRISA-N
MW171.20 g/mol
LogP2.02
Rot. Bonds1

About 1-phenylpyrrole-2,5-diimine

1-phenylpyrrole-2,5-diimine (PubChem CID 146710900) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-phenylpyrrole-2,5-diimine.

Molecular Properties

Compound Name1-phenylpyrrole-2,5-diimine
PubChem CID146710900
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name1-phenylpyrrole-2,5-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])N1c1ccccc1
InChIInChI=1S/C10H9N3/c11-9-6-7-10(12)13(9)8-4-2-1-3-5-8/h1-7,11-12H/b11-9+,12-10+
InChIKeyRBLOBYZOHZQBQD-WGDLNXRISA-N
XLogP2.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)pyrrole-2,5-diimine
CID 149160761
1-benzylpyrrole-2,5-diimine
CID 151437818
11-phenylbenzo[b][1]benzazepine
CID 11514559
methane;1-phenylpyrrole-2,5-dione
CID 174935875
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine
CID 144936370
5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one
CID 35140530
4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one
CID 22333377
(3Z)-3-ethylidene-1-phenylindol-2-imine
CID 154931756
5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
CID 118429547
1-methoxypyrrole-2,5-diimine
CID 58715707
1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
CID 12774190

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrrole-2,5-diimine?
The IUPAC name of 1-phenylpyrrole-2,5-diimine (CID 146710900) is 1-phenylpyrrole-2,5-diimine.
What is the SMILES notation for 1-phenylpyrrole-2,5-diimine?
The canonical SMILES for 1-phenylpyrrole-2,5-diimine is [H]/N=C1\C=C/C(=N\[H])N1c1ccccc1.
What is the InChIKey of 1-phenylpyrrole-2,5-diimine?
The InChIKey is RBLOBYZOHZQBQD-WGDLNXRISA-N. The full InChI is InChI=1S/C10H9N3/c11-9-6-7-10(12)13(9)8-4-2-1-3-5-8/h1-7,11-12H/b11-9+,12-10+.
What are the key properties of 1-phenylpyrrole-2,5-diimine?
1-phenylpyrrole-2,5-diimine has a molecular weight of 171.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrrole-2,5-diimine is sourced from PubChem (CID 146710900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).