1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine

C13H14N2 — CID 123792940

IUPAC1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine
SMILES[H]/N=C(/C=C=C1C=C/N=C\C=C/C=C\1)CC
InChIInChI=1S/C13H14N2/c1-2-13(14)8-7-12-6-4-3-5-10-15-11-9-12/h3-6,8-11,14H,2H2,1H3/b5-3-,6-4-,11-9?,14-13+,15-10-
InChIKeyGDLQESFOPLXPBG-ADSLKGPLSA-N
MW198.27 g/mol
LogP3.21
Rot. Bonds2

About 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine

1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine (PubChem CID 123792940) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine.

Molecular Properties

Compound Name1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine
PubChem CID123792940
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine
SMILES[H]/N=C(/C=C=C1C=C/N=C\C=C/C=C\1)CC
InChIInChI=1S/C13H14N2/c1-2-13(14)8-7-12-6-4-3-5-10-15-11-9-12/h3-6,8-11,14H,2H2,1H3/b5-3-,6-4-,11-9?,14-13+,15-10-
InChIKeyGDLQESFOPLXPBG-ADSLKGPLSA-N
XLogP3.21
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.21
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

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CID 21162934
Pyrrolobenzazepine
CID 88072644
(1Z,4E)-1-(ethylideneamino)-5-[[(Z)-6-fluoro-5-methylidenehept-3-en-2-ylidene]amino]-4-methyl-3-methylidenepenta-1,4-dien-1-amine
CID 173816436
1,5-Benzodiazocine
CID 23633143
Azonino[5,6-b]indole
CID 129879581
Benzopyrrolo-1,4-diazonine
CID 129879988
(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene
CID 19816510
(9Z,14Z)-4,12-diazatricyclo[7.6.0.03,7]pentadeca-1,3,5,7,9,11,14-heptaene
CID 19879782
8aH-pyrido[3,4-b]indole
CID 57235232
(3Z)-3-(ethenyliminomethyl)hexa-1,3-dien-2-amine;yttrium
CID 60125184
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine?
The IUPAC name of 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine (CID 123792940) is 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine.
What is the SMILES notation for 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine?
The canonical SMILES for 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine is [H]/N=C(/C=C=C1C=C/N=C\C=C/C=C\1)CC.
What is the InChIKey of 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine?
The InChIKey is GDLQESFOPLXPBG-ADSLKGPLSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-13(14)8-7-12-6-4-3-5-10-15-11-9-12/h3-6,8-11,14H,2H2,1H3/b5-3-,6-4-,11-9?,14-13+,15-10-.
What are the key properties of 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine?
1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine has a molecular weight of 198.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine is sourced from PubChem (CID 123792940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).