(3E)-3-ethenoxyocta-3,7-dien-2-imine

C10H15NO — CID 165128699

IUPAC(3E)-3-ethenoxyocta-3,7-dien-2-imine
SMILES[H]/N=C(C)/C(=C\CCC=C)OC=C
InChIInChI=1S/C10H15NO/c1-4-6-7-8-10(9(3)11)12-5-2/h4-5,8,11H,1-2,6-7H2,3H3/b10-8+,11-9+
InChIKeyXEPWPFZPOZTPBS-GFULKKFKSA-N
MW165.24 g/mol
LogP3.04
Rot. Bonds6

About (3E)-3-ethenoxyocta-3,7-dien-2-imine

(3E)-3-ethenoxyocta-3,7-dien-2-imine (PubChem CID 165128699) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3E)-3-ethenoxyocta-3,7-dien-2-imine.

Molecular Properties

Compound Name(3E)-3-ethenoxyocta-3,7-dien-2-imine
PubChem CID165128699
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3E)-3-ethenoxyocta-3,7-dien-2-imine
SMILES[H]/N=C(C)/C(=C\CCC=C)OC=C
InChIInChI=1S/C10H15NO/c1-4-6-7-8-10(9(3)11)12-5-2/h4-5,8,11H,1-2,6-7H2,3H3/b10-8+,11-9+
InChIKeyXEPWPFZPOZTPBS-GFULKKFKSA-N
XLogP3.04
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxycyclohepta-2,4,6-trien-1-imine
CID 10986283
(Z)-4-methoxypent-3-en-2-imine
CID 12462133
2-Methoxycyclohexa-2,4-dien-1-imine
CID 68995450
(2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine
CID 89129703
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
4-Methoxypent-3-en-2-imine
CID 91319087
(E)-5-methoxyoct-4-en-3-imine
CID 91483796
(Z)-5-methoxyhept-2-en-4-imine
CID 123147418
(E)-3-methoxyhex-3-en-2-imine
CID 123163925
(Z)-2-methoxyhex-4-en-3-imine
CID 123185055
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
3-(2-Methylpropoxy)cyclohepta-2,6-dien-1-imine
CID 123216771

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethenoxyocta-3,7-dien-2-imine?
The IUPAC name of (3E)-3-ethenoxyocta-3,7-dien-2-imine (CID 165128699) is (3E)-3-ethenoxyocta-3,7-dien-2-imine.
What is the SMILES notation for (3E)-3-ethenoxyocta-3,7-dien-2-imine?
The canonical SMILES for (3E)-3-ethenoxyocta-3,7-dien-2-imine is [H]/N=C(C)/C(=C\CCC=C)OC=C.
What is the InChIKey of (3E)-3-ethenoxyocta-3,7-dien-2-imine?
The InChIKey is XEPWPFZPOZTPBS-GFULKKFKSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-7-8-10(9(3)11)12-5-2/h4-5,8,11H,1-2,6-7H2,3H3/b10-8+,11-9+.
What are the key properties of (3E)-3-ethenoxyocta-3,7-dien-2-imine?
(3E)-3-ethenoxyocta-3,7-dien-2-imine has a molecular weight of 165.24 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethenoxyocta-3,7-dien-2-imine is sourced from PubChem (CID 165128699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).