ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine

C11H16N2 — CID 142845485

IUPACethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
SMILESC=C/C=C1/C=CC=N/C1=N\C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-5-8-6-4-7-11-9(8)10-2;1-2/h3-7H,1H2,2H3;1-2H3/b8-5-,10-9-;
InChIKeyJUVWTKMFEYIVTE-KSRZDLMISA-N
MW176.26 g/mol
LogP2.79
Rot. Bonds1

About ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine

ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine (PubChem CID 142845485) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine.

Molecular Properties

Compound Nameethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
PubChem CID142845485
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
SMILESC=C/C=C1/C=CC=N/C1=N\C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-5-8-6-4-7-11-9(8)10-2;1-2/h3-7H,1H2,2H3;1-2H3/b8-5-,10-9-;
InChIKeyJUVWTKMFEYIVTE-KSRZDLMISA-N
XLogP2.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydro-1,8-naphthyridine
CID 53699458
(2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide
CID 144934445
2H-Pyrrolo[2,3-B]pyridine
CID 56972323
Carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium
CID 59491923
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
N',3-dimethyl-N-methylidene-2,3-dihydropyridine-5-carboximidamide
CID 68309209
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
(3Z)-3-ethylidenepyridin-2-imine
CID 89254996
(2Z,4E,6E,8Z)-N,N',4,7-tetramethyldeca-2,4,6,8-tetraene-1,10-diimine
CID 89369382
(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
CID 89385025
(Z)-N'-ethyl-N-methyl-4,5-dimethylidenehex-2-ene-1,6-diimine
CID 89672783
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine?
The IUPAC name of ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine (CID 142845485) is ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine.
What is the SMILES notation for ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine?
The canonical SMILES for ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine is C=C/C=C1/C=CC=N/C1=N\C.CC.
What is the InChIKey of ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine?
The InChIKey is JUVWTKMFEYIVTE-KSRZDLMISA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-3-5-8-6-4-7-11-9(8)10-2;1-2/h3-7H,1H2,2H3;1-2H3/b8-5-,10-9-;.
What are the key properties of ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine?
ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine is sourced from PubChem (CID 142845485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).