4-methylidenepyrrolidin-3-amine

C5H10N2 — CID 15136232

IUPAC4-methylidenepyrrolidin-3-amine
SMILESC=C1CNCC1N
InChIInChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h5,7H,1-3,6H2
InChIKeyDEJHJEASWLGAEW-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.53
Rot. Bonds

About 4-methylidenepyrrolidin-3-amine

4-methylidenepyrrolidin-3-amine (PubChem CID 15136232) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 4-methylidenepyrrolidin-3-amine.

Molecular Properties

Compound Name4-methylidenepyrrolidin-3-amine
PubChem CID15136232
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name4-methylidenepyrrolidin-3-amine
SMILESC=C1CNCC1N
InChIInChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h5,7H,1-3,6H2
InChIKeyDEJHJEASWLGAEW-UHFFFAOYSA-N
XLogP-0.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidenepyrrolidin-3-amine?
The IUPAC name of 4-methylidenepyrrolidin-3-amine (CID 15136232) is 4-methylidenepyrrolidin-3-amine.
What is the SMILES notation for 4-methylidenepyrrolidin-3-amine?
The canonical SMILES for 4-methylidenepyrrolidin-3-amine is C=C1CNCC1N.
What is the InChIKey of 4-methylidenepyrrolidin-3-amine?
The InChIKey is DEJHJEASWLGAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h5,7H,1-3,6H2.
What are the key properties of 4-methylidenepyrrolidin-3-amine?
4-methylidenepyrrolidin-3-amine has a molecular weight of 98.15 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 15136232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).