methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate

C15H15NO4 — CID 139267053

IUPACmethyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc(N3CCCC3)cc2oc1=O
InChIInChI=1S/C15H15NO4/c1-19-14(17)12-8-10-4-5-11(16-6-2-3-7-16)9-13(10)20-15(12)18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXULSYQCIOLLHGJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.18
Rot. Bonds2

About methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate

methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate (PubChem CID 139267053) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate
PubChem CID139267053
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc(N3CCCC3)cc2oc1=O
InChIInChI=1S/C15H15NO4/c1-19-14(17)12-8-10-4-5-11(16-6-2-3-7-16)9-13(10)20-15(12)18/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXULSYQCIOLLHGJ-UHFFFAOYSA-N
XLogP2.18
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-but-2-en-2-yl-7-pyrrolidin-1-ylchromen-2-one
CID 123593806
3-(1-benzofuran-2-carbonyl)-7-pyrrolidin-1-ylchromen-2-one
CID 21217315
methyl 7-methyl-2-oxochromene-3-carboxylate
CID 142114128
N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide
CID 118041590
7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 3469110
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
7-(4-tert-butylpiperazin-1-yl)-2-oxo-N-phenylchromene-3-carboxamide
CID 141376588
dimethyl 6,21-dioxo-5,12,15,22,29,32,37,40-octaoxa-1,26-diazahexacyclo[24.8.8.02,11.04,9.016,25.018,23]dotetraconta-2(11),3,7,9,16(25),17,19,23-octaene-7,20-dicarboxylate
CID 10055688
2-[7-(azetidin-1-yl)-2-oxochromen-3-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 162687736
methyl 6-piperidin-1-ylquinoline-2-carboxylate
CID 82247475
6-pyrrolidin-1-ylchromen-2-one
CID 168512411
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one
CID 19132809

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate?
The IUPAC name of methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate (CID 139267053) is methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate?
The canonical SMILES for methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate is COC(=O)c1cc2ccc(N3CCCC3)cc2oc1=O.
What is the InChIKey of methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate?
The InChIKey is XULSYQCIOLLHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-14(17)12-8-10-4-5-11(16-6-2-3-7-16)9-13(10)20-15(12)18/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate?
methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate is sourced from PubChem (CID 139267053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).