methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate

C17H19NO3 — CID 84613276

IUPACmethyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate
SMILESCOC(=O)c1cccc2c3c(n(C(C)C)c12)CCC(=O)C3
InChIInChI=1S/C17H19NO3/c1-10(2)18-15-8-7-11(19)9-14(15)12-5-4-6-13(16(12)18)17(20)21-3/h4-6,10H,7-9H2,1-3H3
InChIKeyDWPIWWSXHZDHET-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.07
Rot. Bonds2

About methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate

methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate (PubChem CID 84613276) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate
PubChem CID84613276
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate
SMILESCOC(=O)c1cccc2c3c(n(C(C)C)c12)CCC(=O)C3
InChIInChI=1S/C17H19NO3/c1-10(2)18-15-8-7-11(19)9-14(15)12-5-4-6-13(16(12)18)17(20)21-3/h4-6,10H,7-9H2,1-3H3
InChIKeyDWPIWWSXHZDHET-UHFFFAOYSA-N
XLogP3.07
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid
CID 84612165
methyl 5-(2-aminoethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylate
CID 83948774
9-[(3-methylphenyl)methyl]-6-oxo-7,8-dihydro-5H-carbazole-1-carboxylic acid
CID 84612345
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-propan-2-yl-3H-1,2-benzothiazole-4-carboxylate
CID 142433681
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate
CID 90133193
methyl (5E)-9-benzyl-5-hydroxyimino-7,8-dihydro-6H-carbazole-1-carboxylate
CID 10405460
methyl 3-oxo-2-propan-2-yl-2,14-diazatetracyclo[10.2.1.04,14.07,13]pentadeca-1(15),4,6,8,10,12-hexaene-6-carboxylate
CID 15542007
dimethyl anthracene-9,10-dicarboxylate
CID 139057809

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate?
The IUPAC name of methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate (CID 84613276) is methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate?
The canonical SMILES for methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate is COC(=O)c1cccc2c3c(n(C(C)C)c12)CCC(=O)C3.
What is the InChIKey of methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate?
The InChIKey is DWPIWWSXHZDHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10(2)18-15-8-7-11(19)9-14(15)12-5-4-6-13(16(12)18)17(20)21-3/h4-6,10H,7-9H2,1-3H3.
What are the key properties of methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate?
methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 84613276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).