(Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine

C9H12N2 — CID 130267564

IUPAC(Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine
SMILESC/N=C/C=C\C1=CC(C)C=N1
InChIInChI=1S/C9H12N2/c1-8-6-9(11-7-8)4-3-5-10-2/h3-8H,1-2H3/b4-3-,10-5+
InChIKeyAOQUSWPASPSMKV-DXWLQBKVSA-N
MW148.21 g/mol
LogP1.85
Rot. Bonds2

About (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine

(Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine (PubChem CID 130267564) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine
PubChem CID130267564
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine
SMILESC/N=C/C=C\C1=CC(C)C=N1
InChIInChI=1S/C9H12N2/c1-8-6-9(11-7-8)4-3-5-10-2/h3-8H,1-2H3/b4-3-,10-5+
InChIKeyAOQUSWPASPSMKV-DXWLQBKVSA-N
XLogP1.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
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 (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine (CID 130267564) is (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine is C/N=C/C=C\C1=CC(C)C=N1.
What is the InChIKey of (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine?
The InChIKey is AOQUSWPASPSMKV-DXWLQBKVSA-N. The full InChI is InChI=1S/C9H12N2/c1-8-6-9(11-7-8)4-3-5-10-2/h3-8H,1-2H3/b4-3-,10-5+.
What are the key properties of (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine?
(Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine has a molecular weight of 148.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-(3-methyl-3H-pyrrol-5-yl)prop-2-en-1-imine is sourced from PubChem (CID 130267564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).