N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine

C8H10N2 — CID 146637605

IUPACN-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine
SMILESC=N/C=C\c1cccn1C
InChIInChI=1S/C8H10N2/c1-9-6-5-8-4-3-7-10(8)2/h3-7H,1H2,2H3/b6-5-
InChIKeyILIYNNAKXVIWEI-WAYWQWQTSA-N
MW134.18 g/mol
LogP1.70
Rot. Bonds2

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

N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine (PubChem CID 146637605) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine
PubChem CID146637605
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine
SMILESC=N/C=C\c1cccn1C
InChIInChI=1S/C8H10N2/c1-9-6-5-8-4-3-7-10(8)2/h3-7H,1H2,2H3/b6-5-
InChIKeyILIYNNAKXVIWEI-WAYWQWQTSA-N
XLogP1.70
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.70
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 N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine (CID 146637605) is N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine is C=N/C=C\c1cccn1C.
What is the InChIKey of N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine?
The InChIKey is ILIYNNAKXVIWEI-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H10N2/c1-9-6-5-8-4-3-7-10(8)2/h3-7H,1H2,2H3/b6-5-.
What are the key properties of N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine?
N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine has a molecular weight of 134.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]methanimine is sourced from PubChem (CID 146637605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).