N-phenyl-1-(1H-pyrrol-2-yl)methanimine

C22H20N4 — CID 139135949

IUPACN-phenyl-1-(1H-pyrrol-2-yl)methanimine
SMILESC(=N/c1ccccc1)\c1ccc[nH]1.C(=N/c1ccccc1)\c1ccc[nH]1
InChIInChI=1S/2C11H10N2/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h2*1-9,12H/b2*13-9+
InChIKeyUJOUHOVTMNFWRW-SNXMOEPDSA-N
MW340.43 g/mol
LogP5.53
Rot. Bonds4

About N-phenyl-1-(1H-pyrrol-2-yl)methanimine

N-phenyl-1-(1H-pyrrol-2-yl)methanimine (PubChem CID 139135949) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-phenyl-1-(1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-phenyl-1-(1H-pyrrol-2-yl)methanimine
PubChem CID139135949
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC NameN-phenyl-1-(1H-pyrrol-2-yl)methanimine
SMILESC(=N/c1ccccc1)\c1ccc[nH]1.C(=N/c1ccccc1)\c1ccc[nH]1
InChIInChI=1S/2C11H10N2/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h2*1-9,12H/b2*13-9+
InChIKeyUJOUHOVTMNFWRW-SNXMOEPDSA-N
XLogP5.53
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(1H-pyrrol-2-yl)methanimine?
The IUPAC name of N-phenyl-1-(1H-pyrrol-2-yl)methanimine (CID 139135949) is N-phenyl-1-(1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-phenyl-1-(1H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-phenyl-1-(1H-pyrrol-2-yl)methanimine is C(=N/c1ccccc1)\c1ccc[nH]1.C(=N/c1ccccc1)\c1ccc[nH]1.
What is the InChIKey of N-phenyl-1-(1H-pyrrol-2-yl)methanimine?
The InChIKey is UJOUHOVTMNFWRW-SNXMOEPDSA-N. The full InChI is InChI=1S/2C11H10N2/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h2*1-9,12H/b2*13-9+.
What are the key properties of N-phenyl-1-(1H-pyrrol-2-yl)methanimine?
N-phenyl-1-(1H-pyrrol-2-yl)methanimine has a molecular weight of 340.43 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 139135949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).