2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one

C16H19NO — CID 100829916

IUPAC2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
SMILESCC(C)C(=O)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C16H19NO/c1-11(2)16(18)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3,5,7,9,11H,4,6,8,10H2,1-2H3
InChIKeyICTITIFSCBHUJV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.82
Rot. Bonds1

About 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one

2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one (PubChem CID 100829916) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
PubChem CID100829916
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
SMILESCC(C)C(=O)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C16H19NO/c1-11(2)16(18)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3,5,7,9,11H,4,6,8,10H2,1-2H3
InChIKeyICTITIFSCBHUJV-UHFFFAOYSA-N
XLogP3.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 23831300
[1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl] pyridine-4-carboxylate
CID 23803161
(2-fluorophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
CID 746851
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-1-one
CID 23831317
methyl (2R)-2-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoate
CID 11334378
2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
CID 113089930
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
CID 23859675
N-(2,6-dimethylphenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylacetamide
CID 1276587
S-[(1-methyl-1,2,4-triazol-3-yl)methyl] 1,2,3,4-tetrahydrocarbazole-9-carbothioate
CID 23771101
9-iodo-1,2,3,4-tetrahydrocarbazole
CID 146323792
3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 23861541
1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
CID 12710330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one (CID 100829916) is 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one is CC(C)C(=O)n1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The InChIKey is ICTITIFSCBHUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)16(18)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3,5,7,9,11H,4,6,8,10H2,1-2H3.
What are the key properties of 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one is sourced from PubChem (CID 100829916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).