ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone

C20H31NO — CID 91537262

IUPACethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
SMILESCC.CC.CCn1c2c(c3ccccc31)C(C(C)=O)CCC2
InChIInChI=1S/C16H19NO.2C2H6/c1-3-17-14-9-5-4-7-13(14)16-12(11(2)18)8-6-10-15(16)17;2*1-2/h4-5,7,9,12H,3,6,8,10H2,1-2H3;2*1-2H3
InChIKeyHWWNWLUOGSUELT-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.72
Rot. Bonds2

About ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone

ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone (PubChem CID 91537262) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
PubChem CID91537262
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Nameethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
SMILESCC.CC.CCn1c2c(c3ccccc31)C(C(C)=O)CCC2
InChIInChI=1S/C16H19NO.2C2H6/c1-3-17-14-9-5-4-7-13(14)16-12(11(2)18)8-6-10-15(16)17;2*1-2/h4-5,7,9,12H,3,6,8,10H2,1-2H3;2*1-2H3
InChIKeyHWWNWLUOGSUELT-UHFFFAOYSA-N
XLogP5.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone
CID 57392496
9-(2-(18F)fluoroethyl)-N,N-dihexyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57397041
2-[(4S)-4-(diethylcarbamoyl)-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl thiohypofluorite;methoxymethane
CID 145093366
9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 66679594
2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide
CID 59934224
ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
CID 72702213
1-[9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-4-yl]-4-phenylbutan-1-one
CID 165018573
9-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 167090949
2-[[4-(methylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]methyl]benzoic acid
CID 177008935
2-[(4-amino-1,2,3,4-tetrahydrocarbazol-9-yl)methyl]benzoic acid
CID 177008837
5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
CID 130233349

Frequently Asked Questions

What is the IUPAC name of ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone?
The IUPAC name of ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone (CID 91537262) is ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone.
What is the SMILES notation for ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone?
The canonical SMILES for ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone is CC.CC.CCn1c2c(c3ccccc31)C(C(C)=O)CCC2.
What is the InChIKey of ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone?
The InChIKey is HWWNWLUOGSUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.2C2H6/c1-3-17-14-9-5-4-7-13(14)16-12(11(2)18)8-6-10-15(16)17;2*1-2/h4-5,7,9,12H,3,6,8,10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone?
ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone has a molecular weight of 301.47 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone is sourced from PubChem (CID 91537262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).