9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

C18H19NOS — CID 171974362

IUPAC9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCN1C2C=C(c3ccc(-c4ccccc4)s3)CC1COC2
InChIInChI=1S/C18H19NOS/c1-19-15-9-14(10-16(19)12-20-11-15)18-8-7-17(21-18)13-5-3-2-4-6-13/h2-9,15-16H,10-12H2,1H3
InChIKeyNQJVJXQRBBJKAO-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.90
Rot. Bonds2

About 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (PubChem CID 171974362) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
PubChem CID171974362
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCN1C2C=C(c3ccc(-c4ccccc4)s3)CC1COC2
InChIInChI=1S/C18H19NOS/c1-19-15-9-14(10-16(19)12-20-11-15)18-8-7-17(21-18)13-5-3-2-4-6-13/h2-9,15-16H,10-12H2,1H3
InChIKeyNQJVJXQRBBJKAO-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene 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

9-methyl-7-(3-phenylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973196
9-methyl-7-(4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971626
tert-butyl 3-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)benzoate
CID 171972474
7-(3,5-dimethoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171974924
7-[2-fluoro-3-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973824
2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole
CID 171974718
9-methyl-7-[4-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973865
7-[4-methoxy-3-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973471
9-benzyl-7-[4-(2-methylpropyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171969645
9-benzyl-7-(4-propan-2-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971021
7-(3,4-difluoro-5-methoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171975139
9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973585

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (CID 171974362) is 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is CN1C2C=C(c3ccc(-c4ccccc4)s3)CC1COC2.
What is the InChIKey of 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The InChIKey is NQJVJXQRBBJKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-15-9-14(10-16(19)12-20-11-15)18-8-7-17(21-18)13-5-3-2-4-6-13/h2-9,15-16H,10-12H2,1H3.
What are the key properties of 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene has a molecular weight of 297.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(5-phenylthiophen-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 171974362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).