6-pyrrolidin-1-ylchromen-2-one

C13H13NO2 — CID 168512411

IUPAC6-pyrrolidin-1-ylchromen-2-one
SMILESO=c1ccc2cc(N3CCCC3)ccc2o1
InChIInChI=1S/C13H13NO2/c15-13-6-3-10-9-11(4-5-12(10)16-13)14-7-1-2-8-14/h3-6,9H,1-2,7-8H2
InChIKeyVDFQGIGSYMQRDF-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.39
Rot. Bonds1

About 6-pyrrolidin-1-ylchromen-2-one

6-pyrrolidin-1-ylchromen-2-one (PubChem CID 168512411) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylchromen-2-one.

Molecular Properties

Compound Name6-pyrrolidin-1-ylchromen-2-one
PubChem CID168512411
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6-pyrrolidin-1-ylchromen-2-one
SMILESO=c1ccc2cc(N3CCCC3)ccc2o1
InChIInChI=1S/C13H13NO2/c15-13-6-3-10-9-11(4-5-12(10)16-13)14-7-1-2-8-14/h3-6,9H,1-2,7-8H2
InChIKeyVDFQGIGSYMQRDF-UHFFFAOYSA-N
XLogP2.39
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dihydropyrrol-1-yl)chromen-2-one
CID 57399666
7-pyrrolidin-1-yl-4-(trifluoromethyl)chromen-2-one
CID 168512154
1-(2-phenyl-1-benzofuran-5-yl)pyrrolidine
CID 168513405
1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
CID 58426575
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
CID 1248585
5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
CID 23074043
3-but-2-en-2-yl-7-pyrrolidin-1-ylchromen-2-one
CID 123593806
6-chlorochromen-2-one
CID 16321
3-(1-benzofuran-2-carbonyl)-7-pyrrolidin-1-ylchromen-2-one
CID 21217315
6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazin-1-yl]sulfonylchromen-2-one
CID 87839126
methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate
CID 139267053
N'-hydroxy-2-oxo-7-piperidin-1-ylchromene-3-carboximidamide
CID 118041590

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylchromen-2-one?
The IUPAC name of 6-pyrrolidin-1-ylchromen-2-one (CID 168512411) is 6-pyrrolidin-1-ylchromen-2-one.
What is the SMILES notation for 6-pyrrolidin-1-ylchromen-2-one?
The canonical SMILES for 6-pyrrolidin-1-ylchromen-2-one is O=c1ccc2cc(N3CCCC3)ccc2o1.
What is the InChIKey of 6-pyrrolidin-1-ylchromen-2-one?
The InChIKey is VDFQGIGSYMQRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13-6-3-10-9-11(4-5-12(10)16-13)14-7-1-2-8-14/h3-6,9H,1-2,7-8H2.
What are the key properties of 6-pyrrolidin-1-ylchromen-2-one?
6-pyrrolidin-1-ylchromen-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylchromen-2-one is sourced from PubChem (CID 168512411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).