(Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine

C11H18N2 — CID 142970930

IUPAC(Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine
SMILESC=C/N=C/C(=C\C)[C@@H]1CCCN1C
InChIInChI=1S/C11H18N2/c1-4-10(9-12-5-2)11-7-6-8-13(11)3/h4-5,9,11H,2,6-8H2,1,3H3/b10-4+,12-9+/t11-/m0/s1
InChIKeyROROJHWPIGAERD-XQJKHNSSSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds3

About (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine

(Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine (PubChem CID 142970930) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine
PubChem CID142970930
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine
SMILESC=C/N=C/C(=C\C)[C@@H]1CCCN1C
InChIInChI=1S/C11H18N2/c1-4-10(9-12-5-2)11-7-6-8-13(11)3/h4-5,9,11H,2,6-8H2,1,3H3/b10-4+,12-9+/t11-/m0/s1
InChIKeyROROJHWPIGAERD-XQJKHNSSSA-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

2-(Difluoromethyl)-5-(1-methylpyrrolidin-2-yl)-2,3-dihydropyridine
CID 89609670
4-[3-(3-fluoropyrrolidin-1-yl)but-3-enyl]-2H-pyrrole
CID 165138820
N-[(E)-2-[(2S)-1-methylpyrrolidin-2-yl]ethenyl]prop-2-en-1-imine
CID 68217751
5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89056573
(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
(3E)-2-ethyl-3-ethylidene-N-methyl-N-propyl-4H-pyridin-4-amine
CID 132195135
(Z)-N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 134590337
(3Z)-3-(1-methylpyrrolidin-2-ylidene)-4H-pyridin-4-ide
CID 136152884
N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]prop-2-en-1-imine
CID 143688606
N-[(E)-2-(1-methylpyrrolidin-2-yl)prop-1-enyl]propan-1-imine
CID 143688607

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine (CID 142970930) is (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine is C=C/N=C/C(=C\C)[C@@H]1CCCN1C.
What is the InChIKey of (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine?
The InChIKey is ROROJHWPIGAERD-XQJKHNSSSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10(9-12-5-2)11-7-6-8-13(11)3/h4-5,9,11H,2,6-8H2,1,3H3/b10-4+,12-9+/t11-/m0/s1.
What are the key properties of (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine?
(Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-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 (Z)-N-ethenyl-2-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-imine is sourced from PubChem (CID 142970930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).