2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one

C16H19NO2 — CID 118442257

IUPAC2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one
SMILESCC(C)C(=O)c1c2n(c3ccccc13)CCCCO2
InChIInChI=1S/C16H19NO2/c1-11(2)15(18)14-12-7-3-4-8-13(12)17-9-5-6-10-19-16(14)17/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyVIAIYSNOQQHLJQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.65
Rot. Bonds2

About 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one

2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one (PubChem CID 118442257) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one
PubChem CID118442257
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one
SMILESCC(C)C(=O)c1c2n(c3ccccc13)CCCCO2
InChIInChI=1S/C16H19NO2/c1-11(2)15(18)14-12-7-3-4-8-13(12)17-9-5-6-10-19-16(14)17/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyVIAIYSNOQQHLJQ-UHFFFAOYSA-N
XLogP3.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one with MolForge

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Related Compounds

4-propan-2-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]quinolin-5-one
CID 176762518
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427
[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]methyl 3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxylate
CID 71698459
N-[[1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
CID 118712569
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-2-methylpropan-1-one
CID 112703215
10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 58315233
ethane;15-oxa-10-azapentacyclo[14.8.0.02,10.04,9.019,24]tetracosa-1(16),2,4,6,8,17,19,21,23-nonaene
CID 145398962
(4-methylnaphthalen-1-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 66764509
(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 56838054
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]-2-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indol-10-yl)acetamide
CID 139683456
(3Z)-3-[1-(1,2-dimethylindol-3-yl)ethylidene]-4-propan-2-ylidene-1,6-dioxecane-2,5-dione
CID 15200727
[1-[[4-[2-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]phenyl]methyl]piperidin-4-yl]methyl 3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxylate;methanesulfonic acid
CID 72697735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one (CID 118442257) is 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one is CC(C)C(=O)c1c2n(c3ccccc13)CCCCO2.
What is the InChIKey of 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one?
The InChIKey is VIAIYSNOQQHLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)15(18)14-12-7-3-4-8-13(12)17-9-5-6-10-19-16(14)17/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one?
2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,4,5-tetrahydro-[1,3]oxazepino[3,2-a]indol-11-yl)propan-1-one is sourced from PubChem (CID 118442257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).