2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one

C17H15NO3 — CID 11312053

IUPAC2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one
SMILESO=c1cc(N2CCC(O)C2)oc2c1ccc1ccccc12
InChIInChI=1S/C17H15NO3/c19-12-7-8-18(10-12)16-9-15(20)14-6-5-11-3-1-2-4-13(11)17(14)21-16/h1-6,9,12,19H,7-8,10H2
InChIKeyPDLACESCNWHSFX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.52
Rot. Bonds1

About 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one

2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one (PubChem CID 11312053) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one
PubChem CID11312053
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one
SMILESO=c1cc(N2CCC(O)C2)oc2c1ccc1ccccc12
InChIInChI=1S/C17H15NO3/c19-12-7-8-18(10-12)16-9-15(20)14-6-5-11-3-1-2-4-13(11)17(14)21-16/h1-6,9,12,19H,7-8,10H2
InChIKeyPDLACESCNWHSFX-UHFFFAOYSA-N
XLogP2.52
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one (CID 11312053) is 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one is O=c1cc(N2CCC(O)C2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one?
The InChIKey is PDLACESCNWHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-12-7-8-18(10-12)16-9-15(20)14-6-5-11-3-1-2-4-13(11)17(14)21-16/h1-6,9,12,19H,7-8,10H2.
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one?
2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one has a molecular weight of 281.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)benzo[h]chromen-4-one is sourced from PubChem (CID 11312053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).