ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate

C19H18N2O3 — CID 10314040

IUPACethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3[nH]c4ccc(O)cc4c3c(C)c2c1C
InChIInChI=1S/C19H18N2O3/c1-4-24-19(23)18-10(3)16-9(2)17-12-7-11(22)5-6-13(12)20-15(17)8-14(16)21-18/h5-8,20-22H,4H2,1-3H3
InChIKeyBRCUOJUPCMVQTE-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.30
Rot. Bonds2

About ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate

ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate (PubChem CID 10314040) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
PubChem CID10314040
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc3[nH]c4ccc(O)cc4c3c(C)c2c1C
InChIInChI=1S/C19H18N2O3/c1-4-24-19(23)18-10(3)16-9(2)17-12-7-11(22)5-6-13(12)20-15(17)8-14(16)21-18/h5-8,20-22H,4H2,1-3H3
InChIKeyBRCUOJUPCMVQTE-UHFFFAOYSA-N
XLogP4.30
TPSA78.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
ethyl 6-hydroxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134017
ethyl 4-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-hydroxy-1,10-dimethyl-3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylate
CID 10052698
ethyl 5,8-dimethoxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 67851388
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
ethyl 5-(dibenzylamino)-3-methyl-1H-indole-2-carboxylate
CID 102170436
ethyl 5-(dimethylamino)-3-formyl-1H-indole-2-carboxylate
CID 82214174
2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 5-methoxy-3-methyl-4-(trifluoromethyl)-1H-indole-2-carboxylate
CID 67053486
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate?
The IUPAC name of ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate (CID 10314040) is ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate is CCOC(=O)c1[nH]c2cc3[nH]c4ccc(O)cc4c3c(C)c2c1C.
What is the InChIKey of ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate?
The InChIKey is BRCUOJUPCMVQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-4-24-19(23)18-10(3)16-9(2)17-12-7-11(22)5-6-13(12)20-15(17)8-14(16)21-18/h5-8,20-22H,4H2,1-3H3.
What are the key properties of ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate?
ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-3,4-dimethyl-1,9-dihydropyrrolo[2,3-b]carbazole-2-carboxylate is sourced from PubChem (CID 10314040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).