(2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine

C8H10N2 — CID 143196621

IUPAC(2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine
SMILESC=c1cc[nH]/c1=C/C=N/C
InChIInChI=1S/C8H10N2/c1-7-3-6-10-8(7)4-5-9-2/h3-6,10H,1H2,2H3/b8-4+,9-5+
InChIKeyQBILBYIMLPEXAA-KBXRYBNXSA-N
MW134.18 g/mol
LogP-0.09
Rot. Bonds1

About (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine

(2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine (PubChem CID 143196621) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine
PubChem CID143196621
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine
SMILESC=c1cc[nH]/c1=C/C=N/C
InChIInChI=1S/C8H10N2/c1-7-3-6-10-8(7)4-5-9-2/h3-6,10H,1H2,2H3/b8-4+,9-5+
InChIKeyQBILBYIMLPEXAA-KBXRYBNXSA-N
XLogP-0.09
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine?
The IUPAC name of (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine (CID 143196621) is (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine.
What is the SMILES notation for (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine?
The canonical SMILES for (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine is C=c1cc[nH]/c1=C/C=N/C.
What is the InChIKey of (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine?
The InChIKey is QBILBYIMLPEXAA-KBXRYBNXSA-N. The full InChI is InChI=1S/C8H10N2/c1-7-3-6-10-8(7)4-5-9-2/h3-6,10H,1H2,2H3/b8-4+,9-5+.
What are the key properties of (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine?
(2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine has a molecular weight of 134.18 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-(3-methylidene-1H-pyrrol-2-ylidene)ethanimine is sourced from PubChem (CID 143196621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).