(3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine

C10H16N2 — CID 138667697

IUPAC(3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine
SMILESC=C/N=C1C(=C\CC)/CCN/1C
InChIInChI=1S/C10H16N2/c1-4-6-9-7-8-12(3)10(9)11-5-2/h5-6H,2,4,7-8H2,1,3H3/b9-6-,11-10-
InChIKeyRPQTUSIQEHABFD-ONEMGQKZSA-N
MW164.25 g/mol
LogP2.20
Rot. Bonds2

About (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine

(3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine (PubChem CID 138667697) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine
PubChem CID138667697
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine
SMILESC=C/N=C1C(=C\CC)/CCN/1C
InChIInChI=1S/C10H16N2/c1-4-6-9-7-8-12(3)10(9)11-5-2/h5-6H,2,4,7-8H2,1,3H3/b9-6-,11-10-
InChIKeyRPQTUSIQEHABFD-ONEMGQKZSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine?
The IUPAC name of (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine (CID 138667697) is (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine.
What is the SMILES notation for (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine?
The canonical SMILES for (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine is C=C/N=C1C(=C\CC)/CCN/1C.
What is the InChIKey of (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine?
The InChIKey is RPQTUSIQEHABFD-ONEMGQKZSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-9-7-8-12(3)10(9)11-5-2/h5-6H,2,4,7-8H2,1,3H3/b9-6-,11-10-.
What are the key properties of (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine?
(3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine has a molecular weight of 164.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-1-methyl-3-propylidenepyrrolidin-2-imine is sourced from PubChem (CID 138667697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).