1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one

C16H19NO — CID 134964581

IUPAC1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one
SMILESCC(=O)CC1CCCC2=Nc3ccccc3C21C
InChIInChI=1S/C16H19NO/c1-11(18)10-12-6-5-9-15-16(12,2)13-7-3-4-8-14(13)17-15/h3-4,7-8,12H,5-6,9-10H2,1-2H3
InChIKeyDTFCGKHJXILERT-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.81
Rot. Bonds2

About 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one

1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one (PubChem CID 134964581) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one
PubChem CID134964581
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one
SMILESCC(=O)CC1CCCC2=Nc3ccccc3C21C
InChIInChI=1S/C16H19NO/c1-11(18)10-12-6-5-9-15-16(12,2)13-7-3-4-8-14(13)17-15/h3-4,7-8,12H,5-6,9-10H2,1-2H3
InChIKeyDTFCGKHJXILERT-UHFFFAOYSA-N
XLogP3.81
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-2-propionyl-3-(2-toluidino)-2-cyclohexen-1-one
CID 135401372
2,3-Dimethyl-3-phenylindole
CID 345250
Cyclohexanone, 3-(2-fluorophenylimino)-5,5-dimethyl-
CID 601012
5-(4-Fluorophenyl)imino-3,3-dimethylcyclohexan-1-one
CID 872120
3-Butyl-2'-phenyl-2-(trifluoromethyl)spiro[cyclopent-2-ene-4,3'-indole]-1-one
CID 162398700
7-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635546
3,3-dimethyl-3,4-dihydroindeno[1,2-b]indol-1(2H)-one
CID 16457388
Cambridge id 5219974
CID 135500318
Bicyclo[2.2.1]heptan-3-one, 2-phenylimino-4,7,7-trimethyl-
CID 611586
2'-Methylspiro[cyclohexane-1,3'-indole]
CID 339113
Tetrahydro-carbazol-4-one
CID 11788686
3,3-Dimethyl-5-phenyliminocyclohexan-1-one
CID 13525010

Frequently Asked Questions

What is the IUPAC name of 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one?
The IUPAC name of 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one (CID 134964581) is 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one?
The canonical SMILES for 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one is CC(=O)CC1CCCC2=Nc3ccccc3C21C.
What is the InChIKey of 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one?
The InChIKey is DTFCGKHJXILERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(18)10-12-6-5-9-15-16(12,2)13-7-3-4-8-14(13)17-15/h3-4,7-8,12H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one?
1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4a-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one is sourced from PubChem (CID 134964581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).