2-methyl-2,5-dihydropyrrol-1-amine

C5H10N2 — CID 77335107

IUPAC2-methyl-2,5-dihydropyrrol-1-amine
SMILESCC1C=CCN1N
InChIInChI=1S/C5H10N2/c1-5-3-2-4-7(5)6/h2-3,5H,4,6H2,1H3
InChIKeyWQNRTKRVKZYDDY-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.12
Rot. Bonds

About 2-methyl-2,5-dihydropyrrol-1-amine

2-methyl-2,5-dihydropyrrol-1-amine (PubChem CID 77335107) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-methyl-2,5-dihydropyrrol-1-amine.

Molecular Properties

Compound Name2-methyl-2,5-dihydropyrrol-1-amine
PubChem CID77335107
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-methyl-2,5-dihydropyrrol-1-amine
SMILESCC1C=CCN1N
InChIInChI=1S/C5H10N2/c1-5-3-2-4-7(5)6/h2-3,5H,4,6H2,1H3
InChIKeyWQNRTKRVKZYDDY-UHFFFAOYSA-N
XLogP0.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,5-dihydropyrrol-1-amine?
The IUPAC name of 2-methyl-2,5-dihydropyrrol-1-amine (CID 77335107) is 2-methyl-2,5-dihydropyrrol-1-amine.
What is the SMILES notation for 2-methyl-2,5-dihydropyrrol-1-amine?
The canonical SMILES for 2-methyl-2,5-dihydropyrrol-1-amine is CC1C=CCN1N.
What is the InChIKey of 2-methyl-2,5-dihydropyrrol-1-amine?
The InChIKey is WQNRTKRVKZYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5-3-2-4-7(5)6/h2-3,5H,4,6H2,1H3.
What are the key properties of 2-methyl-2,5-dihydropyrrol-1-amine?
2-methyl-2,5-dihydropyrrol-1-amine has a molecular weight of 98.15 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5-dihydropyrrol-1-amine is sourced from PubChem (CID 77335107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).