3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol

C13H17NO2 — CID 105474259

IUPAC3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
SMILESOc1ccc2c(c1)CC(CNC1CC1)CO2
InChIInChI=1S/C13H17NO2/c15-12-3-4-13-10(6-12)5-9(8-16-13)7-14-11-1-2-11/h3-4,6,9,11,14-15H,1-2,5,7-8H2
InChIKeyLKGQBUVIHXCWEB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.70
Rot. Bonds3

About 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol

3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol (PubChem CID 105474259) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
PubChem CID105474259
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
SMILESOc1ccc2c(c1)CC(CNC1CC1)CO2
InChIInChI=1S/C13H17NO2/c15-12-3-4-13-10(6-12)5-9(8-16-13)7-14-11-1-2-11/h3-4,6,9,11,14-15H,1-2,5,7-8H2
InChIKeyLKGQBUVIHXCWEB-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol (CID 105474259) is 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol is Oc1ccc2c(c1)CC(CNC1CC1)CO2.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is LKGQBUVIHXCWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-3-4-13-10(6-12)5-9(8-16-13)7-14-11-1-2-11/h3-4,6,9,11,14-15H,1-2,5,7-8H2.
What are the key properties of 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol?
3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 219.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 105474259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).