(3Z,5E)-2-methyliminohepta-3,5-dien-1-ol

C8H13NO — CID 143369271

IUPAC(3Z,5E)-2-methyliminohepta-3,5-dien-1-ol
SMILESC/C=C/C=C\C(CO)=N\C
InChIInChI=1S/C8H13NO/c1-3-4-5-6-8(7-10)9-2/h3-6,10H,7H2,1-2H3/b4-3+,6-5-,9-8-
InChIKeyQOYFHHSDWZVYLQ-NDCYBWOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds3

About (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol

(3Z,5E)-2-methyliminohepta-3,5-dien-1-ol (PubChem CID 143369271) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5E)-2-methyliminohepta-3,5-dien-1-ol
PubChem CID143369271
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z,5E)-2-methyliminohepta-3,5-dien-1-ol
SMILESC/C=C/C=C\C(CO)=N\C
InChIInChI=1S/C8H13NO/c1-3-4-5-6-8(7-10)9-2/h3-6,10H,7H2,1-2H3/b4-3+,6-5-,9-8-
InChIKeyQOYFHHSDWZVYLQ-NDCYBWOYSA-N
XLogP1.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
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 (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol?
The IUPAC name of (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol (CID 143369271) is (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol?
The canonical SMILES for (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol is C/C=C/C=C\C(CO)=N\C.
What is the InChIKey of (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol?
The InChIKey is QOYFHHSDWZVYLQ-NDCYBWOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-6-8(7-10)9-2/h3-6,10H,7H2,1-2H3/b4-3+,6-5-,9-8-.
What are the key properties of (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol?
(3Z,5E)-2-methyliminohepta-3,5-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-methyliminohepta-3,5-dien-1-ol is sourced from PubChem (CID 143369271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).