N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine

C8H10N2 — CID 59893816

IUPACN-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
SMILESC=N/C=c1/cc[nH]/c1=C/C
InChIInChI=1S/C8H10N2/c1-3-8-7(6-9-2)4-5-10-8/h3-6,10H,2H2,1H3/b7-6-,8-3+
InChIKeyJXNQNDRFDASYDF-OHRKGSQHSA-N
MW134.18 g/mol
LogP0.25
Rot. Bonds1

About N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine

N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine (PubChem CID 59893816) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
PubChem CID59893816
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
SMILESC=N/C=c1/cc[nH]/c1=C/C
InChIInChI=1S/C8H10N2/c1-3-8-7(6-9-2)4-5-10-8/h3-6,10H,2H2,1H3/b7-6-,8-3+
InChIKeyJXNQNDRFDASYDF-OHRKGSQHSA-N
XLogP0.25
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 ≤ 50.25
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 N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine?
The IUPAC name of N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine (CID 59893816) is N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine.
What is the SMILES notation for N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine?
The canonical SMILES for N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine is C=N/C=c1/cc[nH]/c1=C/C.
What is the InChIKey of N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine?
The InChIKey is JXNQNDRFDASYDF-OHRKGSQHSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-8-7(6-9-2)4-5-10-8/h3-6,10H,2H2,1H3/b7-6-,8-3+.
What are the key properties of N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine?
N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine has a molecular weight of 134.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine is sourced from PubChem (CID 59893816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).