2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one

C16H23NO3 — CID 155547224

IUPAC2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one
SMILESCc1cccc2c1C(=O)CC(CCCNCCCO)O2
InChIInChI=1S/C16H23NO3/c1-12-5-2-7-15-16(12)14(19)11-13(20-15)6-3-8-17-9-4-10-18/h2,5,7,13,17-18H,3-4,6,8-11H2,1H3
InChIKeyRXFIBMYFRQOFLM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.08
Rot. Bonds7

About 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one

2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one (PubChem CID 155547224) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one
PubChem CID155547224
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one
SMILESCc1cccc2c1C(=O)CC(CCCNCCCO)O2
InChIInChI=1S/C16H23NO3/c1-12-5-2-7-15-16(12)14(19)11-13(20-15)6-3-8-17-9-4-10-18/h2,5,7,13,17-18H,3-4,6,8-11H2,1H3
InChIKeyRXFIBMYFRQOFLM-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one (CID 155547224) is 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one is Cc1cccc2c1C(=O)CC(CCCNCCCO)O2.
What is the InChIKey of 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one?
The InChIKey is RXFIBMYFRQOFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-5-2-7-15-16(12)14(19)11-13(20-15)6-3-8-17-9-4-10-18/h2,5,7,13,17-18H,3-4,6,8-11H2,1H3.
What are the key properties of 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one?
2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one has a molecular weight of 277.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 155547224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).