(2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol

C12H17NO — CID 142897749

IUPAC(2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol
SMILESC=C/C(=C\C=N\CC)C(=C)/C=C\CO
InChIInChI=1S/C12H17NO/c1-4-12(8-9-13-5-2)11(3)7-6-10-14/h4,6-9,14H,1,3,5,10H2,2H3/b7-6-,12-8+,13-9+
InChIKeyMAXIOVVNCOKNRT-CYAJVYQESA-N
MW191.27 g/mol
LogP2.29
Rot. Bonds6

About (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol

(2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol (PubChem CID 142897749) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol.

Molecular Properties

Compound Name(2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol
PubChem CID142897749
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol
SMILESC=C/C(=C\C=N\CC)C(=C)/C=C\CO
InChIInChI=1S/C12H17NO/c1-4-12(8-9-13-5-2)11(3)7-6-10-14/h4,6-9,14H,1,3,5,10H2,2H3/b7-6-,12-8+,13-9+
InChIKeyMAXIOVVNCOKNRT-CYAJVYQESA-N
XLogP2.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
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,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol?
The IUPAC name of (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol (CID 142897749) is (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol.
What is the SMILES notation for (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol?
The canonical SMILES for (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol is C=C/C(=C\C=N\CC)C(=C)/C=C\CO.
What is the InChIKey of (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol?
The InChIKey is MAXIOVVNCOKNRT-CYAJVYQESA-N. The full InChI is InChI=1S/C12H17NO/c1-4-12(8-9-13-5-2)11(3)7-6-10-14/h4,6-9,14H,1,3,5,10H2,2H3/b7-6-,12-8+,13-9+.
What are the key properties of (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol?
(2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-ethenyl-7-ethylimino-4-methylidenehepta-2,5-dien-1-ol is sourced from PubChem (CID 142897749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).