(E)-5-methoxyhex-4-en-3-imine

C7H13NO — CID 123206559

IUPAC(E)-5-methoxyhex-4-en-3-imine
SMILES[H]/N=C(/C=C(\C)OC)CC
InChIInChI=1S/C7H13NO/c1-4-7(8)5-6(2)9-3/h5,8H,4H2,1-3H3/b6-5+,8-7+
InChIKeyIJIZCBFDQUGBLP-BSWSSELBSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds3

About (E)-5-methoxyhex-4-en-3-imine

(E)-5-methoxyhex-4-en-3-imine (PubChem CID 123206559) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-5-methoxyhex-4-en-3-imine.

Molecular Properties

Compound Name(E)-5-methoxyhex-4-en-3-imine
PubChem CID123206559
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-5-methoxyhex-4-en-3-imine
SMILES[H]/N=C(/C=C(\C)OC)CC
InChIInChI=1S/C7H13NO/c1-4-7(8)5-6(2)9-3/h5,8H,4H2,1-3H3/b6-5+,8-7+
InChIKeyIJIZCBFDQUGBLP-BSWSSELBSA-N
XLogP1.97
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
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'}

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Related Compounds

[(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium
CID 176670551
(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine
CID 176670552
(Z)-4-methoxypent-3-en-2-imine
CID 12462133
(Z)-4-methoxy-3-methylpent-3-en-2-imine
CID 12462135
2-Methoxy-5-methyl benzoquinone diimine
CID 20195267
(Z)-4-iminopent-2-en-2-olate
CID 58104794
2-Methoxycyclohexa-2,4-dien-1-imine
CID 68995450
(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
7-methyl-3,4-dihydro-2H-oxepin-5-imine
CID 90907504
4-Methoxypent-3-en-2-imine
CID 91319087
(E)-5-methoxyoct-4-en-3-imine
CID 91483796

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxyhex-4-en-3-imine?
The IUPAC name of (E)-5-methoxyhex-4-en-3-imine (CID 123206559) is (E)-5-methoxyhex-4-en-3-imine.
What is the SMILES notation for (E)-5-methoxyhex-4-en-3-imine?
The canonical SMILES for (E)-5-methoxyhex-4-en-3-imine is [H]/N=C(/C=C(\C)OC)CC.
What is the InChIKey of (E)-5-methoxyhex-4-en-3-imine?
The InChIKey is IJIZCBFDQUGBLP-BSWSSELBSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(8)5-6(2)9-3/h5,8H,4H2,1-3H3/b6-5+,8-7+.
What are the key properties of (E)-5-methoxyhex-4-en-3-imine?
(E)-5-methoxyhex-4-en-3-imine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxyhex-4-en-3-imine is sourced from PubChem (CID 123206559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).