3-amino-3,4-dihydro-2H-chromen-4-ol

C9H11NO2 — CID 5116378

IUPAC3-amino-3,4-dihydro-2H-chromen-4-ol
SMILESNC1COc2ccccc2C1O
InChIInChI=1S/C9H11NO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7,9,11H,5,10H2
InChIKeyHCUMBNVFLOJFSA-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.44
Rot. Bonds

About 3-amino-3,4-dihydro-2H-chromen-4-ol

3-amino-3,4-dihydro-2H-chromen-4-ol (PubChem CID 5116378) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-amino-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-amino-3,4-dihydro-2H-chromen-4-ol
PubChem CID5116378
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-amino-3,4-dihydro-2H-chromen-4-ol
SMILESNC1COc2ccccc2C1O
InChIInChI=1S/C9H11NO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7,9,11H,5,10H2
InChIKeyHCUMBNVFLOJFSA-UHFFFAOYSA-N
XLogP0.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-amino-3,4-dihydro-2H-chromen-4-ol (CID 5116378) is 3-amino-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-amino-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-amino-3,4-dihydro-2H-chromen-4-ol is NC1COc2ccccc2C1O.
What is the InChIKey of 3-amino-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HCUMBNVFLOJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7,9,11H,5,10H2.
What are the key properties of 3-amino-3,4-dihydro-2H-chromen-4-ol?
3-amino-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 165.19 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 5116378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).