3-methoxy-4-methylcyclohepta-2,6-dien-1-imine

C9H13NO — CID 123985714

IUPAC3-methoxy-4-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)C(OC)=C1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-8(10)6-9(7)11-2/h3,5-7,10H,4H2,1-2H3/b10-8+
InChIKeyFWSCMDSYWIQKEM-CSKARUKUSA-N
MW151.21 g/mol
LogP2.13
Rot. Bonds1

About 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine

3-methoxy-4-methylcyclohepta-2,6-dien-1-imine (PubChem CID 123985714) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name3-methoxy-4-methylcyclohepta-2,6-dien-1-imine
PubChem CID123985714
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-methoxy-4-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)C(OC)=C1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-8(10)6-9(7)11-2/h3,5-7,10H,4H2,1-2H3/b10-8+
InChIKeyFWSCMDSYWIQKEM-CSKARUKUSA-N
XLogP2.13
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Ethanimidoyl-3-(3-methylbutan-2-yloxy)cyclohepta-2,6-dien-1-imine
CID 91319282
(E)-5-methoxyoct-4-en-3-imine
CID 91483796
3-(2-Methylpropoxy)cyclohepta-2,6-dien-1-imine
CID 123216771
(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine
CID 123561116
5-Ethyl-2-methoxycyclohepta-2,6-dien-1-imine
CID 123944212
(3E)-3-ethenoxyocta-3,7-dien-2-imine
CID 165128699
(Z)-4-methoxyhept-3-en-2-imine
CID 166697543
(4Z)-5-methoxy-4-methylhexa-1,4-dien-3-imine
CID 166965269
(E)-5-methoxyhept-4-en-3-imine
CID 169683442
(E,6S)-4-methoxy-6-methyloct-3-en-2-imine
CID 174046390

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine (CID 123985714) is 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CCC(C)C(OC)=C1.
What is the InChIKey of 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine?
The InChIKey is FWSCMDSYWIQKEM-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-3-5-8(10)6-9(7)11-2/h3,5-7,10H,4H2,1-2H3/b10-8+.
What are the key properties of 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine?
3-methoxy-4-methylcyclohepta-2,6-dien-1-imine has a molecular weight of 151.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123985714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).