6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one

C15H16BrNO — CID 137373806

IUPAC6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one
SMILESCC(C)C1CC(=O)c2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C15H16BrNO/c1-8(2)9-5-12-11-7-10(16)3-4-13(11)17-15(12)14(18)6-9/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyCTBYYWJZZVVEIN-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.33
Rot. Bonds1

About 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one

6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one (PubChem CID 137373806) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one.

Molecular Properties

Compound Name6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one
PubChem CID137373806
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one
SMILESCC(C)C1CC(=O)c2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C15H16BrNO/c1-8(2)9-5-12-11-7-10(16)3-4-13(11)17-15(12)14(18)6-9/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyCTBYYWJZZVVEIN-UHFFFAOYSA-N
XLogP4.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one
CID 82382896
6-bromo-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
CID 905008
6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505549
propan-2-yl 6-bromo-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 138731268
(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one
CID 143235079
(2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide
CID 92758575
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
CID 140998240
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride
CID 11474671
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4-methylcyclohexane-1-carboxamide
CID 92758417
(3R)-6-bromo-N-[(1R)-1-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 54353659

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one?
The IUPAC name of 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one (CID 137373806) is 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one.
What is the SMILES notation for 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one?
The canonical SMILES for 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one is CC(C)C1CC(=O)c2[nH]c3ccc(Br)cc3c2C1.
What is the InChIKey of 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one?
The InChIKey is CTBYYWJZZVVEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-8(2)9-5-12-11-7-10(16)3-4-13(11)17-15(12)14(18)6-9/h3-4,7-9,17H,5-6H2,1-2H3.
What are the key properties of 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one?
6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one has a molecular weight of 306.20 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one is sourced from PubChem (CID 137373806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).