1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone

C16H13NO2 — CID 101462256

IUPAC1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone
SMILESCC(=O)N1OC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C16H13NO2/c1-10(18)17-15-11-6-2-4-8-13(11)16(19-17)14-9-5-3-7-12(14)15/h2-9,15-16H,1H3
InChIKeyVEDLDRBJSNDWDA-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.97
Rot. Bonds

About 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone

1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone (PubChem CID 101462256) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone.

Molecular Properties

Compound Name1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone
PubChem CID101462256
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone
SMILESCC(=O)N1OC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C16H13NO2/c1-10(18)17-15-11-6-2-4-8-13(11)16(19-17)14-9-5-3-7-12(14)15/h2-9,15-16H,1H3
InChIKeyVEDLDRBJSNDWDA-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone 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

1-[(3S,5S)-5-(2-methoxyphenyl)-3-methyl-1,2-oxazolidin-2-yl]ethanone
CID 177490674
methyl 2-acetyl-5-amino-3-naphthalen-1-yl-3H-1,2-oxazole-4-carboxylate
CID 102235365
1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone
CID 163554942
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one
CID 15396395
4-acetyl-5-(2-chlorophenyl)oxolane-2,3-dione
CID 3397352
1-(2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 15181609
1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone
CID 124630057
1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 87624738
1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone
CID 12009231
acetic acid;stilbene
CID 172803728
(3R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 2477905

Frequently Asked Questions

What is the IUPAC name of 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone?
The IUPAC name of 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone (CID 101462256) is 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone.
What is the SMILES notation for 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone?
The canonical SMILES for 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone is CC(=O)N1OC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone?
The InChIKey is VEDLDRBJSNDWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10(18)17-15-11-6-2-4-8-13(11)16(19-17)14-9-5-3-7-12(14)15/h2-9,15-16H,1H3.
What are the key properties of 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone?
1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone has a molecular weight of 251.29 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl)ethanone is sourced from PubChem (CID 101462256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).