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

C9H9N3 — CID 137270851

IUPAC(E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine
SMILESC(=N/n1cccc1)\c1cc[nH]c1
InChIInChI=1S/C9H9N3/c1-2-6-12(5-1)11-8-9-3-4-10-7-9/h1-8,10H/b11-8+
InChIKeyTXKYFRZFEIGZJQ-DHZHZOJOSA-N
MW159.19 g/mol
LogP1.70
Rot. Bonds2

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

(E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine (PubChem CID 137270851) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine
PubChem CID137270851
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name(E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine
SMILESC(=N/n1cccc1)\c1cc[nH]c1
InChIInChI=1S/C9H9N3/c1-2-6-12(5-1)11-8-9-3-4-10-7-9/h1-8,10H/b11-8+
InChIKeyTXKYFRZFEIGZJQ-DHZHZOJOSA-N
XLogP1.70
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenyl-N-pyrrol-1-ylmethanimine
CID 5374198
N-methyl-1-(1H-pyrrol-3-yl)methanimine
CID 135966107
N-phenyl-1-(1H-pyrrol-3-yl)methanimine
CID 174973456
4-[(E)-1H-pyrrol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one
CID 137267826
N-deuterio-N-[(Z)-[2-[(E)-pyrrol-1-yliminomethyl]cyclopenta-2,4-dien-1-ylidene]methyl]aniline
CID 10890676
3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole
CID 67418654
N-[3-(benzylideneamino)imidazol-3-ium-1-yl]-1-phenylmethanimine
CID 54336771
(E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine
CID 19862556
3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole
CID 67879730
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5425371
(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
CID 171989370
3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
CID 67879707

Frequently Asked Questions

What is the IUPAC name of (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine?
The IUPAC name of (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine (CID 137270851) is (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine?
The canonical SMILES for (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine is C(=N/n1cccc1)\c1cc[nH]c1.
What is the InChIKey of (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine?
The InChIKey is TXKYFRZFEIGZJQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-6-12(5-1)11-8-9-3-4-10-7-9/h1-8,10H/b11-8+.
What are the key properties of (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine?
(E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine has a molecular weight of 159.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pyrrol-1-yl-1-(1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 137270851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).