(E)-5-methoxy-3-methylidenehex-4-en-2-imine

C8H13NO — CID 123829590

IUPAC(E)-5-methoxy-3-methylidenehex-4-en-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C(\C)OC
InChIInChI=1S/C8H13NO/c1-6(8(3)9)5-7(2)10-4/h5,9H,1H2,2-4H3/b7-5+,9-8+
InChIKeySXPYXNPEOQNXBZ-ZIRGRKGMSA-N
MW139.20 g/mol
LogP2.13
Rot. Bonds3

About (E)-5-methoxy-3-methylidenehex-4-en-2-imine

(E)-5-methoxy-3-methylidenehex-4-en-2-imine (PubChem CID 123829590) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-5-methoxy-3-methylidenehex-4-en-2-imine.

Molecular Properties

Compound Name(E)-5-methoxy-3-methylidenehex-4-en-2-imine
PubChem CID123829590
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(E)-5-methoxy-3-methylidenehex-4-en-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C(\C)OC
InChIInChI=1S/C8H13NO/c1-6(8(3)9)5-7(2)10-4/h5,9H,1H2,2-4H3/b7-5+,9-8+
InChIKeySXPYXNPEOQNXBZ-ZIRGRKGMSA-N
XLogP2.13
TPSA33.08 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-methyl-6-(trifluoromethoxy)hepta-3,5-dien-2-imine
CID 123923919
(3E,5E)-5-(1,1-difluoroethyl)-3-(difluoromethoxy)hepta-3,5-dien-2-imine
CID 166823988
(6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine
CID 169233924
2-Methoxy-5-methyl benzoquinone diimine
CID 20195267
2-Methoxy-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 23467541
2-Methoxycyclohexa-2,4-dien-1-imine
CID 68995450
(6Z)-6-[(Z)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
CID 89553367
(6Z)-2-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89693604
(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
CID 90160314
(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
CID 90261421
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine
CID 90453822

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-3-methylidenehex-4-en-2-imine?
The IUPAC name of (E)-5-methoxy-3-methylidenehex-4-en-2-imine (CID 123829590) is (E)-5-methoxy-3-methylidenehex-4-en-2-imine.
What is the SMILES notation for (E)-5-methoxy-3-methylidenehex-4-en-2-imine?
The canonical SMILES for (E)-5-methoxy-3-methylidenehex-4-en-2-imine is [H]/N=C(\C)C(=C)/C=C(\C)OC.
What is the InChIKey of (E)-5-methoxy-3-methylidenehex-4-en-2-imine?
The InChIKey is SXPYXNPEOQNXBZ-ZIRGRKGMSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(8(3)9)5-7(2)10-4/h5,9H,1H2,2-4H3/b7-5+,9-8+.
What are the key properties of (E)-5-methoxy-3-methylidenehex-4-en-2-imine?
(E)-5-methoxy-3-methylidenehex-4-en-2-imine has a molecular weight of 139.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-3-methylidenehex-4-en-2-imine is sourced from PubChem (CID 123829590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).