N-methylpyrrol-2-imine

C5H6N2 — CID 123476235

IUPACN-methylpyrrol-2-imine
SMILESC/N=C1/C=CC=N1
InChIInChI=1S/C5H6N2/c1-6-5-3-2-4-7-5/h2-4H,1H3/b6-5-
InChIKeyQZICRIIUIODSJB-WAYWQWQTSA-N
MW94.12 g/mol
LogP0.66
Rot. Bonds

About N-methylpyrrol-2-imine

N-methylpyrrol-2-imine (PubChem CID 123476235) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is N-methylpyrrol-2-imine.

Molecular Properties

Compound NameN-methylpyrrol-2-imine
PubChem CID123476235
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC NameN-methylpyrrol-2-imine
SMILESC/N=C1/C=CC=N1
InChIInChI=1S/C5H6N2/c1-6-5-3-2-4-7-5/h2-4H,1H3/b6-5-
InChIKeyQZICRIIUIODSJB-WAYWQWQTSA-N
XLogP0.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Iminopyrrole
CID 22998995
2-Diazo-2H-pyrrole
CID 57254912
N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide
CID 146416961
N-methyl-N-(pyrrol-2-ylideneamino)methanamine
CID 90732869
Spiro-[imidazole-2,2'-pyrrole]
CID 129749229
2-Propenimidamide, N-2-propenylidene-N'-2-propenyl-
CID 564453
2-ethenyl-4H-imidazole
CID 54284178
N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine
CID 57267648
N-(2H-pyrrol-5-yl)methanimine
CID 57894764
2-[(Z)-prop-1-enyl]-2H-imidazole
CID 67184716
2-prop-1-enyl-2H-imidazole
CID 67184717
4H-1,3-diazepine
CID 67512632

Frequently Asked Questions

What is the IUPAC name of N-methylpyrrol-2-imine?
The IUPAC name of N-methylpyrrol-2-imine (CID 123476235) is N-methylpyrrol-2-imine.
What is the SMILES notation for N-methylpyrrol-2-imine?
The canonical SMILES for N-methylpyrrol-2-imine is C/N=C1/C=CC=N1.
What is the InChIKey of N-methylpyrrol-2-imine?
The InChIKey is QZICRIIUIODSJB-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H6N2/c1-6-5-3-2-4-7-5/h2-4H,1H3/b6-5-.
What are the key properties of N-methylpyrrol-2-imine?
N-methylpyrrol-2-imine has a molecular weight of 94.12 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyrrol-2-imine is sourced from PubChem (CID 123476235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).