1-methylpyrrolidin-3-imine

C5H10N2 — CID 57293237

IUPAC1-methylpyrrolidin-3-imine
SMILES[H]/N=C1\CCN(C)C1
InChIInChI=1S/C5H10N2/c1-7-3-2-5(6)4-7/h6H,2-4H2,1H3/b6-5+
InChIKeyFZWBKYKLXBDEFG-AATRIKPKSA-N
MW98.15 g/mol
LogP0.34
Rot. Bonds

About 1-methylpyrrolidin-3-imine

1-methylpyrrolidin-3-imine (PubChem CID 57293237) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-methylpyrrolidin-3-imine.

Molecular Properties

Compound Name1-methylpyrrolidin-3-imine
PubChem CID57293237
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1-methylpyrrolidin-3-imine
SMILES[H]/N=C1\CCN(C)C1
InChIInChI=1S/C5H10N2/c1-7-3-2-5(6)4-7/h6H,2-4H2,1H3/b6-5+
InChIKeyFZWBKYKLXBDEFG-AATRIKPKSA-N
XLogP0.34
TPSA27.09 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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-methylpyrrolidin-3-imine?
The IUPAC name of 1-methylpyrrolidin-3-imine (CID 57293237) is 1-methylpyrrolidin-3-imine.
What is the SMILES notation for 1-methylpyrrolidin-3-imine?
The canonical SMILES for 1-methylpyrrolidin-3-imine is [H]/N=C1\CCN(C)C1.
What is the InChIKey of 1-methylpyrrolidin-3-imine?
The InChIKey is FZWBKYKLXBDEFG-AATRIKPKSA-N. The full InChI is InChI=1S/C5H10N2/c1-7-3-2-5(6)4-7/h6H,2-4H2,1H3/b6-5+.
What are the key properties of 1-methylpyrrolidin-3-imine?
1-methylpyrrolidin-3-imine has a molecular weight of 98.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-3-imine is sourced from PubChem (CID 57293237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).