ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate

C17H19NO3 — CID 10401684

IUPACethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(n2C(C)=O)CCCC1
InChIInChI=1S/C17H19NO3/c1-3-21-17(20)12-8-9-16-14(10-12)13-6-4-5-7-15(13)18(16)11(2)19/h8-10H,3-7H2,1-2H3
InChIKeyVWHJJYOVKLUZEL-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.36
Rot. Bonds2

About ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate

ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate (PubChem CID 10401684) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
PubChem CID10401684
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(n2C(C)=O)CCCC1
InChIInChI=1S/C17H19NO3/c1-3-21-17(20)12-8-9-16-14(10-12)13-6-4-5-7-15(13)18(16)11(2)19/h8-10H,3-7H2,1-2H3
InChIKeyVWHJJYOVKLUZEL-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 1,2,3,4-tetrahydropyrido[1,2-a]indole-8,10-dicarboxylate
CID 101428187
methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 23938891
ethyl 1,4-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-10(17),11(16),12,14-tetraene-13-carboxylate
CID 4213779
ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 84613100
6-amino-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid
CID 22663976
ethyl (5R)-1-aza-4-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene-12-carboxylate
CID 6935927
diethyl 4-oxoquinoline-1,6-dicarboxylate
CID 132565800
methyl 9-[1-(benzenesulfonyl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 69164121
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
ethyl 1-formylindole-5-carboxylate
CID 139975474
ethyl 5-benzyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 68923339

Frequently Asked Questions

What is the IUPAC name of ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate (CID 10401684) is ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate is CCOC(=O)c1ccc2c(c1)c1c(n2C(C)=O)CCCC1.
What is the InChIKey of ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The InChIKey is VWHJJYOVKLUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-17(20)12-8-9-16-14(10-12)13-6-4-5-7-15(13)18(16)11(2)19/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 10401684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).