(2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol

C8H11NO — CID 143723976

IUPAC(2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol
SMILES[H]/N=C/C(/C=C\CO)=C/C=C
InChIInChI=1S/C8H11NO/c1-2-4-8(7-9)5-3-6-10/h2-5,7,9-10H,1,6H2/b5-3-,8-4+,9-7+
InChIKeyPDSMIBYCHHOTLO-NRBQJMABSA-N
MW137.18 g/mol
LogP1.30
Rot. Bonds4

About (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol

(2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol (PubChem CID 143723976) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol
PubChem CID143723976
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol
SMILES[H]/N=C/C(/C=C\CO)=C/C=C
InChIInChI=1S/C8H11NO/c1-2-4-8(7-9)5-3-6-10/h2-5,7,9-10H,1,6H2/b5-3-,8-4+,9-7+
InChIKeyPDSMIBYCHHOTLO-NRBQJMABSA-N
XLogP1.30
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.30
H-Bond Donors ≤ 52
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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Related Compounds

7-Fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
CID 90929518
4-(2-Iminoethylidene)cyclohexa-2,5-dienol
CID 145707114
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
(2E,4E)-2-ethyl-6-iminohexa-2,4-dien-1-ol
CID 118494869
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
CID 131998269
(Z,2E)-2-ethylidene-5-iminopent-3-en-1-ol
CID 137399864
(3Z,5Z)-7-imino-5,6-dimethylhepta-3,5-dien-2-ol
CID 142150429
(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol
CID 143071584
Ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene
CID 143193804
ethane;(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193809

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol?
The IUPAC name of (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol (CID 143723976) is (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol?
The canonical SMILES for (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol is [H]/N=C/C(/C=C\CO)=C/C=C.
What is the InChIKey of (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol?
The InChIKey is PDSMIBYCHHOTLO-NRBQJMABSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-8(7-9)5-3-6-10/h2-5,7,9-10H,1,6H2/b5-3-,8-4+,9-7+.
What are the key properties of (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol?
(2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol is sourced from PubChem (CID 143723976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).