(4Z)-6-methoxyhepta-4,6-dien-3-imine

C8H13NO — CID 123937033

IUPAC(4Z)-6-methoxyhepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C)OC)CC
InChIInChI=1S/C8H13NO/c1-4-8(9)6-5-7(2)10-3/h5-6,9H,2,4H2,1,3H3/b6-5-,9-8+
InChIKeyQJYZOADPVDPZCI-UEPDSTOUSA-N
MW139.20 g/mol
LogP2.13
Rot. Bonds4

About (4Z)-6-methoxyhepta-4,6-dien-3-imine

(4Z)-6-methoxyhepta-4,6-dien-3-imine (PubChem CID 123937033) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4Z)-6-methoxyhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-6-methoxyhepta-4,6-dien-3-imine
PubChem CID123937033
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4Z)-6-methoxyhepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C)OC)CC
InChIInChI=1S/C8H13NO/c1-4-8(9)6-5-7(2)10-3/h5-6,9H,2,4H2,1,3H3/b6-5-,9-8+
InChIKeyQJYZOADPVDPZCI-UEPDSTOUSA-N
XLogP2.13
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-Fluoro-4-methoxycyclohexa-2,4-dien-1-imine
CID 130349810
(4Z)-6-(2,2-difluoroethoxy)-2-methylhepta-1,4,6-trien-3-imine
CID 171811076
Chinolimin-ather
CID 129650042
4-Methoxycyclohexa-2,4-dien-1-imine
CID 22321529
methyl (Z)-4-methylidenehex-2-enimidate
CID 87074448
4-methoxy-1-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89299878
(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
CID 90261421
(3Z)-5-methoxyhepta-3,5-dien-2-imine
CID 91044401
(3E,5Z)-4-methoxyhepta-3,5-dien-2-imine
CID 117718961
3-(2-Methylprop-1-enyl)-4-propoxyhexa-3,5-dien-2-imine
CID 123171076
3-Ethylidene-6-methyl-4-propoxyhepta-4,6-dien-2-imine
CID 123195093
4-Methoxycyclohepta-2,4-dien-1-imine
CID 123319191

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-methoxyhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-6-methoxyhepta-4,6-dien-3-imine (CID 123937033) is (4Z)-6-methoxyhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-6-methoxyhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-6-methoxyhepta-4,6-dien-3-imine is [H]/N=C(/C=C\C(=C)OC)CC.
What is the InChIKey of (4Z)-6-methoxyhepta-4,6-dien-3-imine?
The InChIKey is QJYZOADPVDPZCI-UEPDSTOUSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-8(9)6-5-7(2)10-3/h5-6,9H,2,4H2,1,3H3/b6-5-,9-8+.
What are the key properties of (4Z)-6-methoxyhepta-4,6-dien-3-imine?
(4Z)-6-methoxyhepta-4,6-dien-3-imine has a molecular weight of 139.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-methoxyhepta-4,6-dien-3-imine is sourced from PubChem (CID 123937033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).