(2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine

C11H18N2 — CID 155187818

IUPAC(2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine
SMILESC=C(/C=C\C=N\C)[C@@H]1CCCN1C
InChIInChI=1S/C11H18N2/c1-10(6-4-8-12-2)11-7-5-9-13(11)3/h4,6,8,11H,1,5,7,9H2,2-3H3/b6-4-,12-8+/t11-/m0/s1
InChIKeyJRTSQGVPUDWQGA-IVRXETGMSA-N
MW178.28 g/mol
LogP1.89
Rot. Bonds3

About (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine

(2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine (PubChem CID 155187818) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine
PubChem CID155187818
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine
SMILESC=C(/C=C\C=N\C)[C@@H]1CCCN1C
InChIInChI=1S/C11H18N2/c1-10(6-4-8-12-2)11-7-5-9-13(11)3/h4,6,8,11H,1,5,7,9H2,2-3H3/b6-4-,12-8+/t11-/m0/s1
InChIKeyJRTSQGVPUDWQGA-IVRXETGMSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine (CID 155187818) is (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine is C=C(/C=C\C=N\C)[C@@H]1CCCN1C.
What is the InChIKey of (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine?
The InChIKey is JRTSQGVPUDWQGA-IVRXETGMSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(6-4-8-12-2)11-7-5-9-13(11)3/h4,6,8,11H,1,5,7,9H2,2-3H3/b6-4-,12-8+/t11-/m0/s1.
What are the key properties of (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine?
(2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine has a molecular weight of 178.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]penta-2,4-dien-1-imine is sourced from PubChem (CID 155187818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).