methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate

C14H15NO4 — CID 14141086

IUPACmethyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate
SMILESCOC(=O)C1C(O)C(=O)N2CCc3ccccc3C12
InChIInChI=1S/C14H15NO4/c1-19-14(18)10-11-9-5-3-2-4-8(9)6-7-15(11)13(17)12(10)16/h2-5,10-12,16H,6-7H2,1H3
InChIKeyYHGDXDAOTXAEFB-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.28
Rot. Bonds1

About methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate

methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate (PubChem CID 14141086) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate
PubChem CID14141086
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate
SMILESCOC(=O)C1C(O)C(=O)N2CCc3ccccc3C12
InChIInChI=1S/C14H15NO4/c1-19-14(18)10-11-9-5-3-2-4-8(9)6-7-15(11)13(17)12(10)16/h2-5,10-12,16H,6-7H2,1H3
InChIKeyYHGDXDAOTXAEFB-UHFFFAOYSA-N
XLogP0.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate?
The IUPAC name of methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate (CID 14141086) is methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate?
The canonical SMILES for methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate is COC(=O)C1C(O)C(=O)N2CCc3ccccc3C12.
What is the InChIKey of methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate?
The InChIKey is YHGDXDAOTXAEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-14(18)10-11-9-5-3-2-4-8(9)6-7-15(11)13(17)12(10)16/h2-5,10-12,16H,6-7H2,1H3.
What are the key properties of methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate?
methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate is sourced from PubChem (CID 14141086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).