(3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one

C11H15NO2 — CID 155455203

IUPAC(3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one
SMILESC=C1C(=O)/C(C)=C\OC2CCC1N2C
InChIInChI=1S/C11H15NO2/c1-7-6-14-10-5-4-9(12(10)3)8(2)11(7)13/h6,9-10H,2,4-5H2,1,3H3/b7-6-
InChIKeyOAXQBPZCFAZKHC-SREVYHEPSA-N
MW193.25 g/mol
LogP1.47
Rot. Bonds

About (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one

(3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one (PubChem CID 155455203) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one.

Molecular Properties

Compound Name(3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one
PubChem CID155455203
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one
SMILESC=C1C(=O)/C(C)=C\OC2CCC1N2C
InChIInChI=1S/C11H15NO2/c1-7-6-14-10-5-4-9(12(10)3)8(2)11(7)13/h6,9-10H,2,4-5H2,1,3H3/b7-6-
InChIKeyOAXQBPZCFAZKHC-SREVYHEPSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one with MolForge

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Related Compounds

8-methyl-2,4-bis(pyridin-4-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one
CID 75243907
9-methyl-9-azabicyclo[4.2.1]nonan-2-one
CID 14442490
8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 138970224
(2Z,4Z)-8-methyl-2,4-bis[(1-methylpyrrol-2-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-one
CID 11841689
(1S,7R)-4,8-dimethyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 94037303
(1S,2Z,4Z,5S)-2,4-bis[(2-chlorophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6350653
(1S,5S)-3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 98056412
(1R,2E,4E,5R)-8-methyl-2,4-bis[(3-methylthiophen-2-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-one
CID 98185589
2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine
CID 14317476
(1R,2E,4E,5R)-8-methyl-2,4-bis[(3,4,5-trimethoxyphenyl)methylidene]-8-azabicyclo[3.2.1]octan-3-one
CID 98185570
(2E,4Z)-8-methyl-2,4-bis(1H-pyrrol-2-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one
CID 6166701
1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one
CID 176944263

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one?
The IUPAC name of (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one (CID 155455203) is (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one.
What is the SMILES notation for (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one?
The canonical SMILES for (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one is C=C1C(=O)/C(C)=C\OC2CCC1N2C.
What is the InChIKey of (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one?
The InChIKey is OAXQBPZCFAZKHC-SREVYHEPSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-6-14-10-5-4-9(12(10)3)8(2)11(7)13/h6,9-10H,2,4-5H2,1,3H3/b7-6-.
What are the key properties of (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one?
(3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one has a molecular weight of 193.25 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,10-dimethyl-6-methylidene-2-oxa-10-azabicyclo[5.2.1]dec-3-en-5-one is sourced from PubChem (CID 155455203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).