methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate

C16H12N2O2 — CID 70687077

IUPACmethyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3[nH]c2c2[nH]ccc12
InChIInChI=1S/C16H12N2O2/c1-20-16(19)12-8-11-9-4-2-3-5-13(9)18-15(11)14-10(12)6-7-17-14/h2-8,17-18H,1H3
InChIKeyLOUXAZYBZOGYCE-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.59
Rot. Bonds1

About methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate

methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate (PubChem CID 70687077) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate
PubChem CID70687077
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Namemethyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3[nH]c2c2[nH]ccc12
InChIInChI=1S/C16H12N2O2/c1-20-16(19)12-8-11-9-4-2-3-5-13(9)18-15(11)14-10(12)6-7-17-14/h2-8,17-18H,1H3
InChIKeyLOUXAZYBZOGYCE-UHFFFAOYSA-N
XLogP3.59
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate?
The IUPAC name of methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate (CID 70687077) is methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate.
What is the SMILES notation for methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate?
The canonical SMILES for methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate is COC(=O)c1cc2c3ccccc3[nH]c2c2[nH]ccc12.
What is the InChIKey of methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate?
The InChIKey is LOUXAZYBZOGYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-20-16(19)12-8-11-9-4-2-3-5-13(9)18-15(11)14-10(12)6-7-17-14/h2-8,17-18H,1H3.
What are the key properties of methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate?
methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate is sourced from PubChem (CID 70687077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).