4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one

C16H17NO4 — CID 71462078

IUPAC4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one
SMILESCC(Oc1cc(=O)oc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C16H17NO4/c1-11(16(19)17-8-4-5-9-17)20-14-10-15(18)21-13-7-3-2-6-12(13)14/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyQHBKNDJFHHJRNA-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.18
Rot. Bonds3

About 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one

4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one (PubChem CID 71462078) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one.

Molecular Properties

Compound Name4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one
PubChem CID71462078
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one
SMILESCC(Oc1cc(=O)oc2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C16H17NO4/c1-11(16(19)17-8-4-5-9-17)20-14-10-15(18)21-13-7-3-2-6-12(13)14/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyQHBKNDJFHHJRNA-UHFFFAOYSA-N
XLogP2.18
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-oxochromen-4-yl)oxypropanoate
CID 5135792
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292207
2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 43326380
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(2-oxochromen-4-yl)oxy-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 71458539
(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7640054
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 107713064
2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303053

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one?
The IUPAC name of 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one (CID 71462078) is 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one.
What is the SMILES notation for 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one?
The canonical SMILES for 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one is CC(Oc1cc(=O)oc2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one?
The InChIKey is QHBKNDJFHHJRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11(16(19)17-8-4-5-9-17)20-14-10-15(18)21-13-7-3-2-6-12(13)14/h2-3,6-7,10-11H,4-5,8-9H2,1H3.
What are the key properties of 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one?
4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one has a molecular weight of 287.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one is sourced from PubChem (CID 71462078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).