2-(3-hydroxypropylamino)benzo[h]chromen-4-one

C16H15NO3 — CID 11529127

IUPAC2-(3-hydroxypropylamino)benzo[h]chromen-4-one
SMILESO=c1cc(NCCCO)oc2c1ccc1ccccc12
InChIInChI=1S/C16H15NO3/c18-9-3-8-17-15-10-14(19)13-7-6-11-4-1-2-5-12(11)16(13)20-15/h1-2,4-7,10,17-18H,3,8-9H2
InChIKeyNEJYMLRXWGLQFF-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-hydroxypropylamino)benzo[h]chromen-4-one

2-(3-hydroxypropylamino)benzo[h]chromen-4-one (PubChem CID 11529127) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)benzo[h]chromen-4-one
PubChem CID11529127
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(3-hydroxypropylamino)benzo[h]chromen-4-one
SMILESO=c1cc(NCCCO)oc2c1ccc1ccccc12
InChIInChI=1S/C16H15NO3/c18-9-3-8-17-15-10-14(19)13-7-6-11-4-1-2-5-12(11)16(13)20-15/h1-2,4-7,10,17-18H,3,8-9H2
InChIKeyNEJYMLRXWGLQFF-UHFFFAOYSA-N
XLogP2.74
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)benzo[h]chromen-4-one?
The IUPAC name of 2-(3-hydroxypropylamino)benzo[h]chromen-4-one (CID 11529127) is 2-(3-hydroxypropylamino)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3-hydroxypropylamino)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3-hydroxypropylamino)benzo[h]chromen-4-one is O=c1cc(NCCCO)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(3-hydroxypropylamino)benzo[h]chromen-4-one?
The InChIKey is NEJYMLRXWGLQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-9-3-8-17-15-10-14(19)13-7-6-11-4-1-2-5-12(11)16(13)20-15/h1-2,4-7,10,17-18H,3,8-9H2.
What are the key properties of 2-(3-hydroxypropylamino)benzo[h]chromen-4-one?
2-(3-hydroxypropylamino)benzo[h]chromen-4-one has a molecular weight of 269.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)benzo[h]chromen-4-one is sourced from PubChem (CID 11529127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).