(1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol

C10H14N2O — CID 143559789

IUPAC(1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol
SMILESC=C/C(=C/C)C(N=C)=C(O)/N=C\C
InChIInChI=1S/C10H14N2O/c1-5-8(6-2)9(11-4)10(13)12-7-3/h5-7,13H,1,4H2,2-3H3/b8-6-,10-9-,12-7-
InChIKeyKSFIHBMTAFXTIS-BZJSTAESSA-N
MW178.23 g/mol
LogP2.64
Rot. Bonds4

About (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol

(1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol (PubChem CID 143559789) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol
PubChem CID143559789
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol
SMILESC=C/C(=C/C)C(N=C)=C(O)/N=C\C
InChIInChI=1S/C10H14N2O/c1-5-8(6-2)9(11-4)10(13)12-7-3/h5-7,13H,1,4H2,2-3H3/b8-6-,10-9-,12-7-
InChIKeyKSFIHBMTAFXTIS-BZJSTAESSA-N
XLogP2.64
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol
CID 142879413
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
CID 178046177
(3E,4E)-3-ethylidene-4-methylhexa-1,4-diene;N-ethylmethanimine
CID 170733911
(Z)-N-[(1E)-1-bromobuta-1,3-dienyl]ethanimine;ethane
CID 143004877
ethane;(3E)-3-ethenyl-5-hydroxyhexa-3,5-dien-2-one
CID 169155574
ethane;N-[(1Z)-2-ethenyl-3-methylidenepenta-1,4-dienyl]ethanimine
CID 145149489
N-(2,4-dimethylhexa-2,4,5-trien-3-yl)ethanimine;ethene
CID 163263223
ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
CID 143976518
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol?
The IUPAC name of (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol (CID 143559789) is (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol.
What is the SMILES notation for (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol?
The canonical SMILES for (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol is C=C/C(=C/C)C(N=C)=C(O)/N=C\C.
What is the InChIKey of (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol?
The InChIKey is KSFIHBMTAFXTIS-BZJSTAESSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-8(6-2)9(11-4)10(13)12-7-3/h5-7,13H,1,4H2,2-3H3/b8-6-,10-9-,12-7-.
What are the key properties of (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol?
(1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol is sourced from PubChem (CID 143559789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).