methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate

C19H15NO3 — CID 12559936

IUPACmethyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1-c1ccccc1)COc1ccccc1-2
InChIInChI=1S/C19H15NO3/c1-22-19(21)18-16(12-7-3-2-4-8-12)14-11-23-15-10-6-5-9-13(15)17(14)20-18/h2-10,20H,11H2,1H3
InChIKeyVHTGJSZBNBTXID-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.03
Rot. Bonds2

About methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate

methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate (PubChem CID 12559936) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
PubChem CID12559936
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Namemethyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1-c1ccccc1)COc1ccccc1-2
InChIInChI=1S/C19H15NO3/c1-22-19(21)18-16(12-7-3-2-4-8-12)14-11-23-15-10-6-5-9-13(15)17(14)20-18/h2-10,20H,11H2,1H3
InChIKeyVHTGJSZBNBTXID-UHFFFAOYSA-N
XLogP4.03
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564325
methyl 3-(4-fluoro-2-methylphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564289
methyl 3-(5-fluoro-2-methoxyphenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 176564305
3-(3-chlorophenyl)-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylic acid
CID 176564323
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154515
4-methoxycarbonyl-2H-chromene-3-carboxylic acid
CID 169275789
methyl 3-(3,5-dichlorophenyl)-4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate
CID 135385224
methyl 3-ethyl-4-iodo-5-phenyl-1H-pyrrole-2-carboxylate
CID 135385489
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
methyl 3-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154523
methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
CID 166475893
methyl 2-(2,4-dihydrochromeno[4,3-c]pyrazole-3-carbonylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 75488971

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate (CID 12559936) is methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate is COC(=O)c1[nH]c2c(c1-c1ccccc1)COc1ccccc1-2.
What is the InChIKey of methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
The InChIKey is VHTGJSZBNBTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-22-19(21)18-16(12-7-3-2-4-8-12)14-11-23-15-10-6-5-9-13(15)17(14)20-18/h2-10,20H,11H2,1H3.
What are the key properties of methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate?
methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate is sourced from PubChem (CID 12559936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).