N-methyl-1,3-dihydropyrrol-2-imine

C5H8N2 — CID 135829641

IUPACN-methyl-1,3-dihydropyrrol-2-imine
SMILESC/N=C1\CC=CN1
InChIInChI=1S/C5H8N2/c1-6-5-3-2-4-7-5/h2,4H,3H2,1H3,(H,6,7)
InChIKeyLTYWYFTXLCRGSY-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.52
Rot. Bonds

About N-methyl-1,3-dihydropyrrol-2-imine

N-methyl-1,3-dihydropyrrol-2-imine (PubChem CID 135829641) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N-methyl-1,3-dihydropyrrol-2-imine.

Molecular Properties

Compound NameN-methyl-1,3-dihydropyrrol-2-imine
PubChem CID135829641
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN-methyl-1,3-dihydropyrrol-2-imine
SMILESC/N=C1\CC=CN1
InChIInChI=1S/C5H8N2/c1-6-5-3-2-4-7-5/h2,4H,3H2,1H3,(H,6,7)
InChIKeyLTYWYFTXLCRGSY-UHFFFAOYSA-N
XLogP0.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-dihydropyrrol-2-imine?
The IUPAC name of N-methyl-1,3-dihydropyrrol-2-imine (CID 135829641) is N-methyl-1,3-dihydropyrrol-2-imine.
What is the SMILES notation for N-methyl-1,3-dihydropyrrol-2-imine?
The canonical SMILES for N-methyl-1,3-dihydropyrrol-2-imine is C/N=C1\CC=CN1.
What is the InChIKey of N-methyl-1,3-dihydropyrrol-2-imine?
The InChIKey is LTYWYFTXLCRGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-6-5-3-2-4-7-5/h2,4H,3H2,1H3,(H,6,7).
What are the key properties of N-methyl-1,3-dihydropyrrol-2-imine?
N-methyl-1,3-dihydropyrrol-2-imine has a molecular weight of 96.13 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dihydropyrrol-2-imine is sourced from PubChem (CID 135829641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).