2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine

C8H14N2 — CID 175123324

IUPAC2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine
SMILES[H]/N=C(\C(=C)C)N1CCCC1
InChIInChI=1S/C8H14N2/c1-7(2)8(9)10-5-3-4-6-10/h9H,1,3-6H2,2H3/b9-8+
InChIKeyMRLPZAHSCDULEB-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds1

About 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine

2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine (PubChem CID 175123324) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine
PubChem CID175123324
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine
SMILES[H]/N=C(\C(=C)C)N1CCCC1
InChIInChI=1S/C8H14N2/c1-7(2)8(9)10-5-3-4-6-10/h9H,1,3-6H2,2H3/b9-8+
InChIKeyMRLPZAHSCDULEB-CMDGGOBGSA-N
XLogP1.64
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine?
The IUPAC name of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine (CID 175123324) is 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine.
What is the SMILES notation for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine?
The canonical SMILES for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine is [H]/N=C(\C(=C)C)N1CCCC1.
What is the InChIKey of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine?
The InChIKey is MRLPZAHSCDULEB-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)8(9)10-5-3-4-6-10/h9H,1,3-6H2,2H3/b9-8+.
What are the key properties of 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine?
2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrrolidin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 175123324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).