1-methyl-4-methylidenepyrrolidin-2-imine

C6H10N2 — CID 161250406

IUPAC1-methyl-4-methylidenepyrrolidin-2-imine
SMILES[H]/N=C1\CC(=C)CN1C
InChIInChI=1S/C6H10N2/c1-5-3-6(7)8(2)4-5/h7H,1,3-4H2,2H3/b7-6+
InChIKeyWIJSDQRNYOSECH-VOTSOKGWSA-N
MW110.16 g/mol
LogP0.86
Rot. Bonds

About 1-methyl-4-methylidenepyrrolidin-2-imine

1-methyl-4-methylidenepyrrolidin-2-imine (PubChem CID 161250406) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-methyl-4-methylidenepyrrolidin-2-imine.

Molecular Properties

Compound Name1-methyl-4-methylidenepyrrolidin-2-imine
PubChem CID161250406
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-methyl-4-methylidenepyrrolidin-2-imine
SMILES[H]/N=C1\CC(=C)CN1C
InChIInChI=1S/C6H10N2/c1-5-3-6(7)8(2)4-5/h7H,1,3-4H2,2H3/b7-6+
InChIKeyWIJSDQRNYOSECH-VOTSOKGWSA-N
XLogP0.86
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidenepyrrolidin-2-imine?
The IUPAC name of 1-methyl-4-methylidenepyrrolidin-2-imine (CID 161250406) is 1-methyl-4-methylidenepyrrolidin-2-imine.
What is the SMILES notation for 1-methyl-4-methylidenepyrrolidin-2-imine?
The canonical SMILES for 1-methyl-4-methylidenepyrrolidin-2-imine is [H]/N=C1\CC(=C)CN1C.
What is the InChIKey of 1-methyl-4-methylidenepyrrolidin-2-imine?
The InChIKey is WIJSDQRNYOSECH-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-3-6(7)8(2)4-5/h7H,1,3-4H2,2H3/b7-6+.
What are the key properties of 1-methyl-4-methylidenepyrrolidin-2-imine?
1-methyl-4-methylidenepyrrolidin-2-imine has a molecular weight of 110.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidenepyrrolidin-2-imine is sourced from PubChem (CID 161250406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).