(3Z)-5-methoxyhepta-3,5-dien-2-imine

C8H13NO — CID 91044401

IUPAC(3Z)-5-methoxyhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(=CC)OC
InChIInChI=1S/C8H13NO/c1-4-8(10-3)6-5-7(2)9/h4-6,9H,1-3H3/b6-5-,8-4?,9-7+
InChIKeyWPNADRMMWUJOID-ATTDXYCNSA-N
MW139.20 g/mol
LogP2.13
Rot. Bonds3

About (3Z)-5-methoxyhepta-3,5-dien-2-imine

(3Z)-5-methoxyhepta-3,5-dien-2-imine (PubChem CID 91044401) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z)-5-methoxyhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-methoxyhepta-3,5-dien-2-imine
PubChem CID91044401
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z)-5-methoxyhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(=CC)OC
InChIInChI=1S/C8H13NO/c1-4-8(10-3)6-5-7(2)9/h4-6,9H,1-3H3/b6-5-,8-4?,9-7+
InChIKeyWPNADRMMWUJOID-ATTDXYCNSA-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

(3Z,5E)-5-(trifluoromethoxy)hepta-3,5-dien-2-imine
CID 137467780
2-Methoxycyclohepta-2,4,6-trien-1-imine
CID 10986283
4-Methoxycyclohexa-2,4-dien-1-imine
CID 22321529
(4E)-3-imino-6-methoxyhepta-1,4,6-trien-2-ol
CID 88270525
(E)-4-(2,3-dihydrofuran-2-yl)but-3-en-2-imine
CID 88275569
4-methoxy-1-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89299878
(NE)-N-[(3E,5Z)-4-methoxyhepta-3,5-dien-2-ylidene]hydroxylamine
CID 89775913
(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
CID 90261421
(3E,5Z)-4-methoxyhepta-3,5-dien-2-imine
CID 117718961
methyl (2Z,4Z)-4-methylhexa-2,4-dienimidate
CID 118033238
4-Methoxycyclohepta-2,4-dien-1-imine
CID 123319191
(3Z)-6-methoxy-5-methylidenehepta-3,6-dien-2-imine
CID 123401870

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methoxyhepta-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-methoxyhepta-3,5-dien-2-imine (CID 91044401) is (3Z)-5-methoxyhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-methoxyhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-methoxyhepta-3,5-dien-2-imine is [H]/N=C(C)/C=C\C(=CC)OC.
What is the InChIKey of (3Z)-5-methoxyhepta-3,5-dien-2-imine?
The InChIKey is WPNADRMMWUJOID-ATTDXYCNSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-8(10-3)6-5-7(2)9/h4-6,9H,1-3H3/b6-5-,8-4?,9-7+.
What are the key properties of (3Z)-5-methoxyhepta-3,5-dien-2-imine?
(3Z)-5-methoxyhepta-3,5-dien-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 (3Z)-5-methoxyhepta-3,5-dien-2-imine is sourced from PubChem (CID 91044401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).