methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate

C11H15NO2 — CID 91293262

IUPACmethyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate
SMILES[H]/N=C1\C(C)=CCCCC=C1C(=O)OC
InChIInChI=1S/C11H15NO2/c1-8-6-4-3-5-7-9(10(8)12)11(13)14-2/h6-7,12H,3-5H2,1-2H3/b8-6?,9-7?,12-10+
InChIKeyZUCLEYJVTPVCFE-QPVUXHGESA-N
MW193.25 g/mol
LogP2.24
Rot. Bonds1

About methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate

methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate (PubChem CID 91293262) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate
PubChem CID91293262
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate
SMILES[H]/N=C1\C(C)=CCCCC=C1C(=O)OC
InChIInChI=1S/C11H15NO2/c1-8-6-4-3-5-7-9(10(8)12)11(13)14-2/h6-7,12H,3-5H2,1-2H3/b8-6?,9-7?,12-10+
InChIKeyZUCLEYJVTPVCFE-QPVUXHGESA-N
XLogP2.24
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-ethyl-5-fluoro-7-iminocyclohepta-1,5-diene-1-carboxylate
CID 123458178
Methoxycarbonyl-o-benzoquinone diimine
CID 129738302
Methyl 6-aminooxyiminocyclohexa-1,3-diene-1-carboxylate
CID 54221646
Methyl 3-bromo-6-iminocyclohexa-1,3-diene-1-carboxylate
CID 67613523
Ethyl 6-iminocyclohexa-1,3-diene-1-carboxylate;hydrochloride
CID 70392857
Ethyl 6-iminocyclohexa-1,3-diene-1-carboxylate
CID 70392858
Methyl 6-iminocyclohexa-1,3-diene-1-carboxylate;hydrochloride
CID 70547433
Methyl 4-methyl-2-methylidene-3-methyliminohept-4-enoate
CID 90908985
methyl (2E)-2-ethylidene-3-iminopentanoate
CID 123524411
Methyl 7-imino-4-methylcyclohepta-1,5-diene-1-carboxylate
CID 123530923
ethyl (Z)-2-ethanimidoylhex-2-enoate
CID 123762918
ethane;methane;methyl (2E,5Z)-3-imino-5-[(Z)-prop-1-enyl]-2-prop-2-enylideneocta-5,7-dienoate
CID 141882547

Frequently Asked Questions

What is the IUPAC name of methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate?
The IUPAC name of methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate (CID 91293262) is methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate.
What is the SMILES notation for methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate?
The canonical SMILES for methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate is [H]/N=C1\C(C)=CCCCC=C1C(=O)OC.
What is the InChIKey of methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate?
The InChIKey is ZUCLEYJVTPVCFE-QPVUXHGESA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-6-4-3-5-7-9(10(8)12)11(13)14-2/h6-7,12H,3-5H2,1-2H3/b8-6?,9-7?,12-10+.
What are the key properties of methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate?
methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-imino-7-methylcycloocta-1,6-diene-1-carboxylate is sourced from PubChem (CID 91293262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).