1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine

C12H14N4 — CID 611756

IUPAC1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine
SMILESCn1cccc1C=NN=Cc1cccn1C
InChIInChI=1S/C12H14N4/c1-15-7-3-5-11(15)9-13-14-10-12-6-4-8-16(12)2/h3-10H,1-2H3
InChIKeyIIGUYSKJAFPSLT-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.82
Rot. Bonds3

About 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine

1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine (PubChem CID 611756) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine
PubChem CID611756
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine
SMILESCn1cccc1C=NN=Cc1cccn1C
InChIInChI=1S/C12H14N4/c1-15-7-3-5-11(15)9-13-14-10-12-6-4-8-16(12)2/h3-10H,1-2H3
InChIKeyIIGUYSKJAFPSLT-UHFFFAOYSA-N
XLogP1.82
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine (CID 611756) is 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine is Cn1cccc1C=NN=Cc1cccn1C.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine?
The InChIKey is IIGUYSKJAFPSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-15-7-3-5-11(15)9-13-14-10-12-6-4-8-16(12)2/h3-10H,1-2H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine?
1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine has a molecular weight of 214.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine is sourced from PubChem (CID 611756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).