2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine

C8H12N2 — CID 137382985

IUPAC2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine
SMILESC/N=C1\C=CC(C2CC2)N1
InChIInChI=1S/C8H12N2/c1-9-8-5-4-7(10-8)6-2-3-6/h4-7H,2-3H2,1H3,(H,9,10)
InChIKeyWWQWMYIFOJWFHD-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.95
Rot. Bonds1

About 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine

2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine (PubChem CID 137382985) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine
PubChem CID137382985
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine
SMILESC/N=C1\C=CC(C2CC2)N1
InChIInChI=1S/C8H12N2/c1-9-8-5-4-7(10-8)6-2-3-6/h4-7H,2-3H2,1H3,(H,9,10)
InChIKeyWWQWMYIFOJWFHD-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.95
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 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine?
The IUPAC name of 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine (CID 137382985) is 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine?
The canonical SMILES for 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine is C/N=C1\C=CC(C2CC2)N1.
What is the InChIKey of 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine?
The InChIKey is WWQWMYIFOJWFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-9-8-5-4-7(10-8)6-2-3-6/h4-7H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine?
2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine has a molecular weight of 136.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-1,2-dihydropyrrol-5-imine is sourced from PubChem (CID 137382985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).