2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione

C17H11NO2S — CID 11779161

IUPAC2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
SMILESCC1=C(c2cccs2)c2[nH]c3ccccc3c2C(=O)C1=O
InChIInChI=1S/C17H11NO2S/c1-9-13(12-7-4-8-21-12)15-14(17(20)16(9)19)10-5-2-3-6-11(10)18-15/h2-8,18H,1H3
InChIKeyNZWPKSPBQOHBBS-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.82
Rot. Bonds1

About 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione

2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione (PubChem CID 11779161) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
PubChem CID11779161
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
SMILESCC1=C(c2cccs2)c2[nH]c3ccccc3c2C(=O)C1=O
InChIInChI=1S/C17H11NO2S/c1-9-13(12-7-4-8-21-12)15-14(17(20)16(9)19)10-5-2-3-6-11(10)18-15/h2-8,18H,1H3
InChIKeyNZWPKSPBQOHBBS-UHFFFAOYSA-N
XLogP3.82
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-9H-carbazole-3,4-dione
CID 15817402
2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
CID 11807923
3-ethoxy-2-methyl-9H-carbazole-1,4-dione
CID 15458383
3-nitro-2-thiophen-2-yl-1H-indole
CID 102172712
5H-indeno[1,2-b]indol-10-one
CID 2785776
4-phenylmethoxy-3-thiophen-2-yl-1H-quinolin-2-one
CID 50916853
4-(3-cyclopentylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one
CID 50916128
ethyl 4-oxo-3-thiophen-2-yl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
CID 177406339
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole
CID 102241289
2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
CID 674281
5-methyl-3-thiophen-2-yl-2H-isoquinolin-1-one
CID 142730761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione?
The IUPAC name of 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione (CID 11779161) is 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione.
What is the SMILES notation for 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione?
The canonical SMILES for 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione is CC1=C(c2cccs2)c2[nH]c3ccccc3c2C(=O)C1=O.
What is the InChIKey of 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione?
The InChIKey is NZWPKSPBQOHBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c1-9-13(12-7-4-8-21-12)15-14(17(20)16(9)19)10-5-2-3-6-11(10)18-15/h2-8,18H,1H3.
What are the key properties of 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione?
2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione has a molecular weight of 293.35 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione is sourced from PubChem (CID 11779161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).