(2-ethenyl-1H-pyrrol-3-yl)methanimine

C7H8N2 — CID 142384190

IUPAC(2-ethenyl-1H-pyrrol-3-yl)methanimine
SMILES[H]/N=C/c1cc[nH]c1C=C
InChIInChI=1S/C7H8N2/c1-2-7-6(5-8)3-4-9-7/h2-5,8-9H,1H2/b8-5+
InChIKeyWWYOGQBWIVKKGD-VMPITWQZSA-N
MW120.15 g/mol
LogP1.66
Rot. Bonds2

About (2-ethenyl-1H-pyrrol-3-yl)methanimine

(2-ethenyl-1H-pyrrol-3-yl)methanimine (PubChem CID 142384190) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2-ethenyl-1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound Name(2-ethenyl-1H-pyrrol-3-yl)methanimine
PubChem CID142384190
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(2-ethenyl-1H-pyrrol-3-yl)methanimine
SMILES[H]/N=C/c1cc[nH]c1C=C
InChIInChI=1S/C7H8N2/c1-2-7-6(5-8)3-4-9-7/h2-5,8-9H,1H2/b8-5+
InChIKeyWWYOGQBWIVKKGD-VMPITWQZSA-N
XLogP1.66
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 143341013
2-ethenyl-3-fluoro-1H-pyrrole
CID 155724901
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane
CID 123665873
(2-iodophenyl)methanimine
CID 91565501
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840
ethane;3-ethenyl-1H-pyrrol-2-amine
CID 178089046
4-ethenyl-5-methanimidoyl-3H-1,3-thiazole-2-thione
CID 142318042
(2-ethenyl-6-methylphenyl)methanimine
CID 156888236
(2-ethylphenyl)methanimine
CID 58827978
3-ethenyl-2-propyl-1H-pyrrole
CID 143902050
ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole
CID 171807389

Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-1H-pyrrol-3-yl)methanimine?
The IUPAC name of (2-ethenyl-1H-pyrrol-3-yl)methanimine (CID 142384190) is (2-ethenyl-1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for (2-ethenyl-1H-pyrrol-3-yl)methanimine?
The canonical SMILES for (2-ethenyl-1H-pyrrol-3-yl)methanimine is [H]/N=C/c1cc[nH]c1C=C.
What is the InChIKey of (2-ethenyl-1H-pyrrol-3-yl)methanimine?
The InChIKey is WWYOGQBWIVKKGD-VMPITWQZSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-7-6(5-8)3-4-9-7/h2-5,8-9H,1H2/b8-5+.
What are the key properties of (2-ethenyl-1H-pyrrol-3-yl)methanimine?
(2-ethenyl-1H-pyrrol-3-yl)methanimine has a molecular weight of 120.15 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 142384190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).