2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine

C5H11N3 — CID 57107862

IUPAC2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine
SMILESCC1CC(N)C(N)=N1
InChIInChI=1S/C5H11N3/c1-3-2-4(6)5(7)8-3/h3-4H,2,6H2,1H3,(H2,7,8)
InChIKeyWETKPSVAMLKWPO-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.54
Rot. Bonds

About 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine

2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine (PubChem CID 57107862) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine
PubChem CID57107862
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine
SMILESCC1CC(N)C(N)=N1
InChIInChI=1S/C5H11N3/c1-3-2-4(6)5(7)8-3/h3-4H,2,6H2,1H3,(H2,7,8)
InChIKeyWETKPSVAMLKWPO-UHFFFAOYSA-N
XLogP-0.54
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine?
The IUPAC name of 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine (CID 57107862) is 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine is CC1CC(N)C(N)=N1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine?
The InChIKey is WETKPSVAMLKWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-2-4(6)5(7)8-3/h3-4H,2,6H2,1H3,(H2,7,8).
What are the key properties of 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine?
2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine has a molecular weight of 113.16 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-pyrrole-4,5-diamine is sourced from PubChem (CID 57107862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).