N-phenyl-1-(1H-pyrrol-3-yl)methanimine

C11H10N2 — CID 174973456

IUPACN-phenyl-1-(1H-pyrrol-3-yl)methanimine
SMILESC(=N/c1ccccc1)\c1cc[nH]c1
InChIInChI=1S/C11H10N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-9,12H/b13-9+
InChIKeyOYACTCANZOBUQA-UKTHLTGXSA-N
MW170.22 g/mol
LogP2.77
Rot. Bonds2

About N-phenyl-1-(1H-pyrrol-3-yl)methanimine

N-phenyl-1-(1H-pyrrol-3-yl)methanimine (PubChem CID 174973456) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is N-phenyl-1-(1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-phenyl-1-(1H-pyrrol-3-yl)methanimine
PubChem CID174973456
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC NameN-phenyl-1-(1H-pyrrol-3-yl)methanimine
SMILESC(=N/c1ccccc1)\c1cc[nH]c1
InChIInChI=1S/C11H10N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-9,12H/b13-9+
InChIKeyOYACTCANZOBUQA-UKTHLTGXSA-N
XLogP2.77
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-phenyl-1-(1H-pyrrol-3-yl)methanimine 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

N,1-diphenylmethanimine
CID 10858
N-methyl-1-(1H-pyrrol-3-yl)methanimine
CID 135966107
N-phenyl-1-(1H-pyrrol-2-yl)methanimine
CID 139135949
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine
CID 135686999
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
1-(4-methylsulfinylphenyl)-N-phenylmethanimine
CID 118035773
1-(3-diphenylphosphinothioylphenyl)-N-phenylmethanimine
CID 102455075
N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-1-phenylmethanimine
CID 86575708
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
CID 20517414

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(1H-pyrrol-3-yl)methanimine?
The IUPAC name of N-phenyl-1-(1H-pyrrol-3-yl)methanimine (CID 174973456) is N-phenyl-1-(1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for N-phenyl-1-(1H-pyrrol-3-yl)methanimine?
The canonical SMILES for N-phenyl-1-(1H-pyrrol-3-yl)methanimine is C(=N/c1ccccc1)\c1cc[nH]c1.
What is the InChIKey of N-phenyl-1-(1H-pyrrol-3-yl)methanimine?
The InChIKey is OYACTCANZOBUQA-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-9,12H/b13-9+.
What are the key properties of N-phenyl-1-(1H-pyrrol-3-yl)methanimine?
N-phenyl-1-(1H-pyrrol-3-yl)methanimine has a molecular weight of 170.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 174973456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).