N-methyl-2-(1H-pyrrol-2-yl)ethanimine

C7H10N2 — CID 118517392

IUPACN-methyl-2-(1H-pyrrol-2-yl)ethanimine
SMILESC/N=C/Cc1ccc[nH]1
InChIInChI=1S/C7H10N2/c1-8-6-4-7-3-2-5-9-7/h2-3,5-6,9H,4H2,1H3/b8-6+
InChIKeyIOXARCDGBNUFIW-SOFGYWHQSA-N
MW122.17 g/mol
LogP1.26
Rot. Bonds2

About N-methyl-2-(1H-pyrrol-2-yl)ethanimine

N-methyl-2-(1H-pyrrol-2-yl)ethanimine (PubChem CID 118517392) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-methyl-2-(1H-pyrrol-2-yl)ethanimine.

Molecular Properties

Compound NameN-methyl-2-(1H-pyrrol-2-yl)ethanimine
PubChem CID118517392
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-methyl-2-(1H-pyrrol-2-yl)ethanimine
SMILESC/N=C/Cc1ccc[nH]1
InChIInChI=1S/C7H10N2/c1-8-6-4-7-3-2-5-9-7/h2-3,5-6,9H,4H2,1H3/b8-6+
InChIKeyIOXARCDGBNUFIW-SOFGYWHQSA-N
XLogP1.26
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.26
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

2-[(E)-but-2-enyl]-1H-pyrrole
CID 14086677
2-prop-2-enyl-1H-pyrrole
CID 527534
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide
CID 23031297
molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
potassium 1H-pyrrol-2-ylmethanolate
CID 140988269
methane;1H-pyrrol-2-ylmethanamine
CID 162272370
2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 116927654
(2S)-1-(1H-pyrrol-2-yl)propan-2-ol
CID 93340936
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094
2-[(2-ethylazetidin-1-yl)methyl]-1H-pyrrole
CID 131107803
2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
CID 53325757

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-pyrrol-2-yl)ethanimine?
The IUPAC name of N-methyl-2-(1H-pyrrol-2-yl)ethanimine (CID 118517392) is N-methyl-2-(1H-pyrrol-2-yl)ethanimine.
What is the SMILES notation for N-methyl-2-(1H-pyrrol-2-yl)ethanimine?
The canonical SMILES for N-methyl-2-(1H-pyrrol-2-yl)ethanimine is C/N=C/Cc1ccc[nH]1.
What is the InChIKey of N-methyl-2-(1H-pyrrol-2-yl)ethanimine?
The InChIKey is IOXARCDGBNUFIW-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H10N2/c1-8-6-4-7-3-2-5-9-7/h2-3,5-6,9H,4H2,1H3/b8-6+.
What are the key properties of N-methyl-2-(1H-pyrrol-2-yl)ethanimine?
N-methyl-2-(1H-pyrrol-2-yl)ethanimine has a molecular weight of 122.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-pyrrol-2-yl)ethanimine is sourced from PubChem (CID 118517392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).