(2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine

C8H12N2 — CID 145230273

IUPAC(2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine
SMILESC=C1CNC/C1=C/C=N/C
InChIInChI=1S/C8H12N2/c1-7-5-10-6-8(7)3-4-9-2/h3-4,10H,1,5-6H2,2H3/b8-3-,9-4+
InChIKeyJLUQCPDOFFCXNK-SNXNNQDSSA-N
MW136.20 g/mol
LogP0.77
Rot. Bonds1

About (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine

(2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine (PubChem CID 145230273) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine.

Molecular Properties

Compound Name(2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine
PubChem CID145230273
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine
SMILESC=C1CNC/C1=C/C=N/C
InChIInChI=1S/C8H12N2/c1-7-5-10-6-8(7)3-4-9-2/h3-4,10H,1,5-6H2,2H3/b8-3-,9-4+
InChIKeyJLUQCPDOFFCXNK-SNXNNQDSSA-N
XLogP0.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-fluoro-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine
CID 176960530
1,2,3,7-Tetrahydropyrrolo[3,4-c]azepine
CID 57288370
(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319
N-[(E)-[(4E)-4-ethylidenepyrrolidin-3-ylidene]methyl]methanimine
CID 139409645
7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine
CID 142291609
1-(2H-azepin-5-yl)-N-methylmethanamine
CID 143096854
(E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 143759728
(4Z)-N-methyl-4-propylidenepyrrolidin-3-imine
CID 144066583
(4Z)-N-ethyl-4-ethylidenepyrrolidin-3-imine
CID 155471819
N-[(E)-[(4E)-4-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine
CID 156042440
N-[(Z)-[(2E)-2-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine
CID 166796776

Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine?
The IUPAC name of (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine (CID 145230273) is (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine.
What is the SMILES notation for (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine?
The canonical SMILES for (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine is C=C1CNC/C1=C/C=N/C.
What is the InChIKey of (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine?
The InChIKey is JLUQCPDOFFCXNK-SNXNNQDSSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-5-10-6-8(7)3-4-9-2/h3-4,10H,1,5-6H2,2H3/b8-3-,9-4+.
What are the key properties of (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine?
(2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine has a molecular weight of 136.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine is sourced from PubChem (CID 145230273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).