1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine

C7H9N3 — CID 153401822

IUPAC1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine
SMILES[H]/N=C(\C)c1cc[nH]c1N=C
InChIInChI=1S/C7H9N3/c1-5(8)6-3-4-10-7(6)9-2/h3-4,8,10H,2H2,1H3/b8-5+
InChIKeyGCOYGEPSGOWFEE-VMPITWQZSA-N
MW135.17 g/mol
LogP1.73
Rot. Bonds2

About 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine

1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine (PubChem CID 153401822) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine.

Molecular Properties

Compound Name1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine
PubChem CID153401822
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine
SMILES[H]/N=C(\C)c1cc[nH]c1N=C
InChIInChI=1S/C7H9N3/c1-5(8)6-3-4-10-7(6)9-2/h3-4,8,10H,2H2,1H3/b8-5+
InChIKeyGCOYGEPSGOWFEE-VMPITWQZSA-N
XLogP1.73
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(methylideneamino)phenyl]ethanimine
CID 89114135
N-[3-(2-methylprop-1-enyl)-1H-pyrrol-2-yl]methanimine
CID 138600666
3-ethanimidoyl-4-hydroxy-1H-pyridin-2-one
CID 136967101
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840
1-(2-diphenylphosphanylphenyl)ethanimine
CID 139968166
1-(2-fluoro-4-prop-1-en-2-ylphenyl)ethanimine
CID 126701033
1-(2-methoxyphenyl)ethanimine
CID 154457857
2-ethanimidoylbenzonitrile
CID 166811885
1-(4-fluoro-2-methylphenyl)ethanimine
CID 118373171
1-[2-(3-phenylphenyl)phenyl]ethanimine
CID 170152317
2-ethanimidoyl-6-fluoroaniline
CID 143652831
3,4-di(ethanimidoyl)benzonitrile
CID 147563554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine?
The IUPAC name of 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine (CID 153401822) is 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine.
What is the SMILES notation for 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine?
The canonical SMILES for 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine is [H]/N=C(\C)c1cc[nH]c1N=C.
What is the InChIKey of 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine?
The InChIKey is GCOYGEPSGOWFEE-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9N3/c1-5(8)6-3-4-10-7(6)9-2/h3-4,8,10H,2H2,1H3/b8-5+.
What are the key properties of 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine?
1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine has a molecular weight of 135.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine is sourced from PubChem (CID 153401822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).