2-pyrrolidin-1-ylbenzo[h]chromen-4-one

C17H15NO2 — CID 3045696

IUPAC2-pyrrolidin-1-ylbenzo[h]chromen-4-one
SMILESO=c1cc(N2CCCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C17H15NO2/c19-15-11-16(18-9-3-4-10-18)20-17-13-6-2-1-5-12(13)7-8-14(15)17/h1-2,5-8,11H,3-4,9-10H2
InChIKeyCYNBNMZZLAYOIM-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.55
Rot. Bonds1

About 2-pyrrolidin-1-ylbenzo[h]chromen-4-one

2-pyrrolidin-1-ylbenzo[h]chromen-4-one (PubChem CID 3045696) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-pyrrolidin-1-ylbenzo[h]chromen-4-one
PubChem CID3045696
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-pyrrolidin-1-ylbenzo[h]chromen-4-one
SMILESO=c1cc(N2CCCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C17H15NO2/c19-15-11-16(18-9-3-4-10-18)20-17-13-6-2-1-5-12(13)7-8-14(15)17/h1-2,5-8,11H,3-4,9-10H2
InChIKeyCYNBNMZZLAYOIM-UHFFFAOYSA-N
XLogP3.55
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-pyrrolidin-1-ylbenzo[h]chromen-4-one?
The IUPAC name of 2-pyrrolidin-1-ylbenzo[h]chromen-4-one (CID 3045696) is 2-pyrrolidin-1-ylbenzo[h]chromen-4-one.
What is the SMILES notation for 2-pyrrolidin-1-ylbenzo[h]chromen-4-one?
The canonical SMILES for 2-pyrrolidin-1-ylbenzo[h]chromen-4-one is O=c1cc(N2CCCC2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-pyrrolidin-1-ylbenzo[h]chromen-4-one?
The InChIKey is CYNBNMZZLAYOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-15-11-16(18-9-3-4-10-18)20-17-13-6-2-1-5-12(13)7-8-14(15)17/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 2-pyrrolidin-1-ylbenzo[h]chromen-4-one?
2-pyrrolidin-1-ylbenzo[h]chromen-4-one has a molecular weight of 265.31 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylbenzo[h]chromen-4-one is sourced from PubChem (CID 3045696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).