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

C7H8N2 — CID 142590840

IUPACN-(3-ethenyl-1H-pyrrol-2-yl)methanimine
SMILESC=Cc1cc[nH]c1N=C
InChIInChI=1S/C7H8N2/c1-3-6-4-5-9-7(6)8-2/h3-5,9H,1-2H2
InChIKeyMMZCJWHZDRGSAH-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.99
Rot. Bonds2

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

N-(3-ethenyl-1H-pyrrol-2-yl)methanimine (PubChem CID 142590840) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N-(3-ethenyl-1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-ethenyl-1H-pyrrol-2-yl)methanimine
PubChem CID142590840
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC NameN-(3-ethenyl-1H-pyrrol-2-yl)methanimine
SMILESC=Cc1cc[nH]c1N=C
InChIInChI=1S/C7H8N2/c1-3-6-4-5-9-7(6)8-2/h3-5,9H,1-2H2
InChIKeyMMZCJWHZDRGSAH-UHFFFAOYSA-N
XLogP1.99
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylprop-1-enyl)-1H-pyrrol-2-yl]methanimine
CID 138600666
N-(3-ethenyl-1H-pyrrol-2-yl)propan-1-imine
CID 174011056
ethane;3-ethenyl-1H-pyrrol-2-amine
CID 178089046
3-ethenyl-2-propyl-1H-pyrrole
CID 143902050
2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole
CID 90462452
2-(3-ethenyl-1H-pyrrol-2-yl)ethenyl-methylphosphane
CID 123665873
4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine
CID 166528890
ethane;3-ethenyl-2-(3-methylbut-1-en-2-yl)-1H-pyrrole
CID 171807389
1-[2-(methylideneamino)-1H-pyrrol-3-yl]ethanimine
CID 153401822
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
3,4,5,6-tetrakis(ethenyl)phenanthrene
CID 143743555
2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 177322497

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenyl-1H-pyrrol-2-yl)methanimine?
The IUPAC name of N-(3-ethenyl-1H-pyrrol-2-yl)methanimine (CID 142590840) is N-(3-ethenyl-1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-(3-ethenyl-1H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-(3-ethenyl-1H-pyrrol-2-yl)methanimine is C=Cc1cc[nH]c1N=C.
What is the InChIKey of N-(3-ethenyl-1H-pyrrol-2-yl)methanimine?
The InChIKey is MMZCJWHZDRGSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-6-4-5-9-7(6)8-2/h3-5,9H,1-2H2.
What are the key properties of N-(3-ethenyl-1H-pyrrol-2-yl)methanimine?
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine has a molecular weight of 120.15 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyl-1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 142590840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).