N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine

C11H18N2 — CID 143688606

IUPACN-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C(\C)C1CCCN1C
InChIInChI=1S/C11H18N2/c1-4-7-12-9-10(2)11-6-5-8-13(11)3/h4,7,9,11H,1,5-6,8H2,2-3H3/b10-9+,12-7+
InChIKeyDWPGOWQIDNPTPP-YQDZKPHZSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds3

About N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine

N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine (PubChem CID 143688606) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine
PubChem CID143688606
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C=C(\C)C1CCCN1C
InChIInChI=1S/C11H18N2/c1-4-7-12-9-10(2)11-6-5-8-13(11)3/h4,7,9,11H,1,5-6,8H2,2-3H3/b10-9+,12-7+
InChIKeyDWPGOWQIDNPTPP-YQDZKPHZSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Methylpyrrolidin-2-yl)-3,4-dihydropyridine
CID 57007517
N-[(E)-2-[(2S)-1-methylpyrrolidin-2-yl]ethenyl]prop-2-en-1-imine
CID 68217751
(2Z,4E)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]hexa-2,4-dien-1-imine
CID 89839679
N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 123907392
N-[(1Z)-5-[(2S)-1-methylpyrrolidin-2-yl]hexa-1,5-dienyl]ethanimine
CID 126706417
(Z)-N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 134590337
(Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine
CID 142970930
N-[(1E)-2-(1-methylpyrrolidin-2-yl)buta-1,3-dienyl]methanimine
CID 143552651
N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]propan-1-imine
CID 143688607
(2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine
CID 155187818
2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 166696869
(Z)-N-ethyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 166785535

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine (CID 143688606) is N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine is C=C/C=N/C=C(\C)C1CCCN1C.
What is the InChIKey of N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine?
The InChIKey is DWPGOWQIDNPTPP-YQDZKPHZSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-7-12-9-10(2)11-6-5-8-13(11)3/h4,7,9,11H,1,5-6,8H2,2-3H3/b10-9+,12-7+.
What are the key properties of N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine?
N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 143688606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).