1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone

C22H23NO — CID 171357712

IUPAC1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CC2CCCc3c2[nH]c2ccc(C)cc32)c1
InChIInChI=1S/C22H23NO/c1-14-9-10-21-20(11-14)19-8-4-7-18(22(19)23-21)13-16-5-3-6-17(12-16)15(2)24/h3,5-6,9-12,18,23H,4,7-8,13H2,1-2H3
InChIKeyJYHABMLDEAUPNJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.34
Rot. Bonds3

About 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone

1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone (PubChem CID 171357712) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone
PubChem CID171357712
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CC2CCCc3c2[nH]c2ccc(C)cc32)c1
InChIInChI=1S/C22H23NO/c1-14-9-10-21-20(11-14)19-8-4-7-18(22(19)23-21)13-16-5-3-6-17(12-16)15(2)24/h3,5-6,9-12,18,23H,4,7-8,13H2,1-2H3
InChIKeyJYHABMLDEAUPNJ-UHFFFAOYSA-N
XLogP5.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
1-[3-(cyclobutylmethyl)phenyl]ethanone
CID 115017585
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-ol
CID 2849427
2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-ol
CID 2874344
(4Z)-2-methyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one;6-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 54073842
cyclohexyl-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)azanium
CID 4105832
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
CID 14197121
(4Z)-4-[(3,4-dimethoxy-5-methylphenyl)methylidene]-2-methyl-1,3-oxazol-5-one;1-[(3,4-dimethoxy-5-methylphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 54434075
(1R)-N-[(1R)-1-(3-ethylphenyl)ethyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142459025
(4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
CID 6943815
(4-chlorophenyl)methyl-[(1R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
CID 7047389
7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine
CID 59014602

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone (CID 171357712) is 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone is CC(=O)c1cccc(CC2CCCc3c2[nH]c2ccc(C)cc32)c1.
What is the InChIKey of 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone?
The InChIKey is JYHABMLDEAUPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-14-9-10-21-20(11-14)19-8-4-7-18(22(19)23-21)13-16-5-3-6-17(12-16)15(2)24/h3,5-6,9-12,18,23H,4,7-8,13H2,1-2H3.
What are the key properties of 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone?
1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone has a molecular weight of 317.43 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 171357712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).