(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one

C15H15BrN2O — CID 143235079

IUPAC(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one
SMILESCN(C)/C=C1\CCc2c([nH]c3ccc(Br)cc23)C1=O
InChIInChI=1S/C15H15BrN2O/c1-18(2)8-9-3-5-11-12-7-10(16)4-6-13(12)17-14(11)15(9)19/h4,6-8,17H,3,5H2,1-2H3/b9-8+
InChIKeyGSRBQUBBPJFVND-CMDGGOBGSA-N
MW319.20 g/mol
LogP3.50
Rot. Bonds1

About (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one

(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one (PubChem CID 143235079) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one
PubChem CID143235079
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one
SMILESCN(C)/C=C1\CCc2c([nH]c3ccc(Br)cc23)C1=O
InChIInChI=1S/C15H15BrN2O/c1-18(2)8-9-3-5-11-12-7-10(16)4-6-13(12)17-14(11)15(9)19/h4,6-8,17H,3,5H2,1-2H3/b9-8+
InChIKeyGSRBQUBBPJFVND-CMDGGOBGSA-N
XLogP3.50
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-6-bromo-2-[(4-fluorophenyl)methylidene]-4,9-dihydro-3H-carbazol-1-one
CID 143235039
6-bromo-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
CID 905008
ethyl (7E)-7-(dimethylaminomethylidene)-6-oxo-5,8,9,10-tetrahydrocyclohepta[b]indole-2-carboxylate
CID 69497456
(2E)-2-[(4-ethoxyphenyl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
CID 170179954
6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one
CID 137373806
7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one
CID 82382896
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
CID 126814924
(2E)-6-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4,9-dihydro-3H-carbazol-1-one
CID 170179957
6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
CID 143085891
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
CID 140998240
7-bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15(20)-hexaen-14-one
CID 135818871
ethyl 9-bromo-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 66640350

Frequently Asked Questions

What is the IUPAC name of (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one (CID 143235079) is (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one is CN(C)/C=C1\CCc2c([nH]c3ccc(Br)cc23)C1=O.
What is the InChIKey of (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is GSRBQUBBPJFVND-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-18(2)8-9-3-5-11-12-7-10(16)4-6-13(12)17-14(11)15(9)19/h4,6-8,17H,3,5H2,1-2H3/b9-8+.
What are the key properties of (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one?
(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 319.20 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 143235079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).