(6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene

C23H25NO — CID 144768171

IUPAC(6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene
SMILESC=C/C=c1/c2c(c(-c3ccc(C(C)(C)C)cc3)nc1=C)C1CCC2O1
InChIInChI=1S/C23H25NO/c1-6-7-17-14(2)24-22(21-19-13-12-18(25-19)20(17)21)15-8-10-16(11-9-15)23(3,4)5/h6-11,18-19H,1-2,12-13H2,3-5H3/b17-7+
InChIKeyVODINGTZNLVUHB-REZTVBANSA-N
MW331.46 g/mol
LogP4.33
Rot. Bonds2

About (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene

(6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene (PubChem CID 144768171) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene.

Molecular Properties

Compound Name(6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene
PubChem CID144768171
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene
SMILESC=C/C=c1/c2c(c(-c3ccc(C(C)(C)C)cc3)nc1=C)C1CCC2O1
InChIInChI=1S/C23H25NO/c1-6-7-17-14(2)24-22(21-19-13-12-18(25-19)20(17)21)15-8-10-16(11-9-15)23(3,4)5/h6-11,18-19H,1-2,12-13H2,3-5H3/b17-7+
InChIKeyVODINGTZNLVUHB-REZTVBANSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9,9-Trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909626
2,9,9-Trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909650
2-Ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909656

Frequently Asked Questions

What is the IUPAC name of (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene?
The IUPAC name of (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene (CID 144768171) is (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene.
What is the SMILES notation for (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene?
The canonical SMILES for (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene is C=C/C=c1/c2c(c(-c3ccc(C(C)(C)C)cc3)nc1=C)C1CCC2O1.
What is the InChIKey of (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene?
The InChIKey is VODINGTZNLVUHB-REZTVBANSA-N. The full InChI is InChI=1S/C23H25NO/c1-6-7-17-14(2)24-22(21-19-13-12-18(25-19)20(17)21)15-8-10-16(11-9-15)23(3,4)5/h6-11,18-19H,1-2,12-13H2,3-5H3/b17-7+.
What are the key properties of (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene?
(6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene has a molecular weight of 331.46 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene is sourced from PubChem (CID 144768171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).