2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine

C10H16N2 — CID 145374675

IUPAC2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C1CCNC1
InChIInChI=1S/C10H16N2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h6,10-11H,1,3-5,7H2,2H3/b12-6+
InChIKeyRCLKEMZALDSGRK-WUXMJOGZSA-N
MW164.25 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine

2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine (PubChem CID 145374675) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine
PubChem CID145374675
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C1CCNC1
InChIInChI=1S/C10H16N2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h6,10-11H,1,3-5,7H2,2H3/b12-6+
InChIKeyRCLKEMZALDSGRK-WUXMJOGZSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.76
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 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine (CID 145374675) is 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine is C=C(C)/C=N/C(=C)C1CCNC1.
What is the InChIKey of 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine?
The InChIKey is RCLKEMZALDSGRK-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)6-12-9(3)10-4-5-11-7-10/h6,10-11H,1,3-5,7H2,2H3/b12-6+.
What are the key properties of 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine?
2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine has a molecular weight of 164.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine is sourced from PubChem (CID 145374675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).