3-ethenyl-1-methylpyrrolidin-2-imine

C7H12N2 — CID 69013454

IUPAC3-ethenyl-1-methylpyrrolidin-2-imine
SMILES[H]/N=C1/C(C=C)CCN1C
InChIInChI=1S/C7H12N2/c1-3-6-4-5-9(2)7(6)8/h3,6,8H,1,4-5H2,2H3/b8-7-
InChIKeyMOEHQCMWTYLEMN-FPLPWBNLSA-N
MW124.19 g/mol
LogP1.10
Rot. Bonds1

About 3-ethenyl-1-methylpyrrolidin-2-imine

3-ethenyl-1-methylpyrrolidin-2-imine (PubChem CID 69013454) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-ethenyl-1-methylpyrrolidin-2-imine.

Molecular Properties

Compound Name3-ethenyl-1-methylpyrrolidin-2-imine
PubChem CID69013454
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-ethenyl-1-methylpyrrolidin-2-imine
SMILES[H]/N=C1/C(C=C)CCN1C
InChIInChI=1S/C7H12N2/c1-3-6-4-5-9(2)7(6)8/h3,6,8H,1,4-5H2,2H3/b8-7-
InChIKeyMOEHQCMWTYLEMN-FPLPWBNLSA-N
XLogP1.10
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.10
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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Related Compounds

1-But-3-enylpyrrolidin-2-imine
CID 68321294
1,3-Bis(prop-2-enyl)pyrrolidin-2-imine
CID 69010158
1-Methyl-3-prop-2-enylpyrrolidin-2-imine
CID 69011169
1,3-Bis(ethenyl)pyrrolidin-2-imine
CID 69012478
3-Ethenyl-1-(1-methoxyethyl)pyrrolidin-2-imine
CID 69014510
but-1-ene;N-methyl-N-(2-methylbutyl)ethanimidamide
CID 178172453
2-Methyl-1-pyrrolidin-1-ylbut-3-en-1-imine
CID 142083206
1-Methyl-4-methylidenepyrrolidin-2-imine
CID 161250406

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methylpyrrolidin-2-imine?
The IUPAC name of 3-ethenyl-1-methylpyrrolidin-2-imine (CID 69013454) is 3-ethenyl-1-methylpyrrolidin-2-imine.
What is the SMILES notation for 3-ethenyl-1-methylpyrrolidin-2-imine?
The canonical SMILES for 3-ethenyl-1-methylpyrrolidin-2-imine is [H]/N=C1/C(C=C)CCN1C.
What is the InChIKey of 3-ethenyl-1-methylpyrrolidin-2-imine?
The InChIKey is MOEHQCMWTYLEMN-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-6-4-5-9(2)7(6)8/h3,6,8H,1,4-5H2,2H3/b8-7-.
What are the key properties of 3-ethenyl-1-methylpyrrolidin-2-imine?
3-ethenyl-1-methylpyrrolidin-2-imine has a molecular weight of 124.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methylpyrrolidin-2-imine is sourced from PubChem (CID 69013454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).