(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol

C13H17NO — CID 129201664

IUPAC(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol
SMILESC=C/C=C\C(=C)C(N)(O)/C(C=C)=C/C=C
InChIInChI=1S/C13H17NO/c1-5-8-10-11(4)13(14,15)12(7-3)9-6-2/h5-10,15H,1-4,14H2/b10-8-,12-9+
InChIKeyOKMUFUWJJKINDM-XXBUAHSKSA-N
MW203.28 g/mol
LogP2.23
Rot. Bonds6

About (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol

(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol (PubChem CID 129201664) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol.

Molecular Properties

Compound Name(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol
PubChem CID129201664
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol
SMILESC=C/C=C\C(=C)C(N)(O)/C(C=C)=C/C=C
InChIInChI=1S/C13H17NO/c1-5-8-10-11(4)13(14,15)12(7-3)9-6-2/h5-10,15H,1-4,14H2/b10-8-,12-9+
InChIKeyOKMUFUWJJKINDM-XXBUAHSKSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane
CID 134462409
(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne
CID 143798054
(5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine
CID 138630940
dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane
CID 174032473
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene
CID 170360355
ethane;(3E,6E,7Z)-6-ethylidene-5-ethynyl-4-[(Z)-prop-1-enyl]deca-1,3,7,9-tetraen-5-ol
CID 143661428
2-bromohexa-1,3,5-triene
CID 91549125
ethane;[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]hydrazine
CID 143703879
(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001360
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932

Frequently Asked Questions

What is the IUPAC name of (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol?
The IUPAC name of (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol (CID 129201664) is (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol.
What is the SMILES notation for (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol?
The canonical SMILES for (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol is C=C/C=C\C(=C)C(N)(O)/C(C=C)=C/C=C.
What is the InChIKey of (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol?
The InChIKey is OKMUFUWJJKINDM-XXBUAHSKSA-N. The full InChI is InChI=1S/C13H17NO/c1-5-8-10-11(4)13(14,15)12(7-3)9-6-2/h5-10,15H,1-4,14H2/b10-8-,12-9+.
What are the key properties of (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol?
(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol has a molecular weight of 203.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol is sourced from PubChem (CID 129201664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).