3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C17H19NO3 — CID 46792554

IUPAC3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC(=O)C(C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C17H19NO3/c1-10(19)11(2)21-17(20)12-7-8-16-14(9-12)13-5-3-4-6-15(13)18-16/h7-9,11,18H,3-6H2,1-2H3
InChIKeyGLUNUPFXZDUEPQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.18
Rot. Bonds3

About 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 46792554) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Name3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID46792554
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC(=O)C(C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C17H19NO3/c1-10(19)11(2)21-17(20)12-7-8-16-14(9-12)13-5-3-4-6-15(13)18-16/h7-9,11,18H,3-6H2,1-2H3
InChIKeyGLUNUPFXZDUEPQ-UHFFFAOYSA-N
XLogP3.18
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 7404453
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 47004132
4-(diethylamino)butan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate;hydrochloride
CID 24836627
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2449280
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42980966
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
(3-cyano-4-imino-2-oxopentyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 7809440
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4794097
(4-nitrophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 50887965

Frequently Asked Questions

What is the IUPAC name of 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 46792554) is 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CC(=O)C(C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is GLUNUPFXZDUEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10(19)11(2)21-17(20)12-7-8-16-14(9-12)13-5-3-4-6-15(13)18-16/h7-9,11,18H,3-6H2,1-2H3.
What are the key properties of 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 46792554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).