4-methylidene-1-propan-2-ylpyrrolidin-3-imine

C8H14N2 — CID 176960621

IUPAC4-methylidene-1-propan-2-ylpyrrolidin-3-imine
SMILES[H]/N=C1\CN(C(C)C)CC1=C
InChIInChI=1S/C8H14N2/c1-6(2)10-4-7(3)8(9)5-10/h6,9H,3-5H2,1-2H3/b9-8+
InChIKeyZOERMHQTTJJOMW-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds1

About 4-methylidene-1-propan-2-ylpyrrolidin-3-imine

4-methylidene-1-propan-2-ylpyrrolidin-3-imine (PubChem CID 176960621) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-ylpyrrolidin-3-imine.

Molecular Properties

Compound Name4-methylidene-1-propan-2-ylpyrrolidin-3-imine
PubChem CID176960621
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-methylidene-1-propan-2-ylpyrrolidin-3-imine
SMILES[H]/N=C1\CN(C(C)C)CC1=C
InChIInChI=1S/C8H14N2/c1-6(2)10-4-7(3)8(9)5-10/h6,9H,3-5H2,1-2H3/b9-8+
InChIKeyZOERMHQTTJJOMW-CMDGGOBGSA-N
XLogP1.29
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
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 4-methylidene-1-propan-2-ylpyrrolidin-3-imine?
The IUPAC name of 4-methylidene-1-propan-2-ylpyrrolidin-3-imine (CID 176960621) is 4-methylidene-1-propan-2-ylpyrrolidin-3-imine.
What is the SMILES notation for 4-methylidene-1-propan-2-ylpyrrolidin-3-imine?
The canonical SMILES for 4-methylidene-1-propan-2-ylpyrrolidin-3-imine is [H]/N=C1\CN(C(C)C)CC1=C.
What is the InChIKey of 4-methylidene-1-propan-2-ylpyrrolidin-3-imine?
The InChIKey is ZOERMHQTTJJOMW-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)10-4-7(3)8(9)5-10/h6,9H,3-5H2,1-2H3/b9-8+.
What are the key properties of 4-methylidene-1-propan-2-ylpyrrolidin-3-imine?
4-methylidene-1-propan-2-ylpyrrolidin-3-imine has a molecular weight of 138.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-ylpyrrolidin-3-imine is sourced from PubChem (CID 176960621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).