(4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol

C10H13NO2 — CID 69173568

IUPAC(4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol
SMILESCNc1ccc2c(c1)OCC[C@H]2O
InChIInChI=1S/C10H13NO2/c1-11-7-2-3-8-9(12)4-5-13-10(8)6-7/h2-3,6,9,11-12H,4-5H2,1H3/t9-/m1/s1
InChIKeyZJNVYFQRZAADEC-SECBINFHSA-N
MW179.22 g/mol
LogP1.54
Rot. Bonds1

About (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol

(4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 69173568) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol
PubChem CID69173568
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol
SMILESCNc1ccc2c(c1)OCC[C@H]2O
InChIInChI=1S/C10H13NO2/c1-11-7-2-3-8-9(12)4-5-13-10(8)6-7/h2-3,6,9,11-12H,4-5H2,1H3/t9-/m1/s1
InChIKeyZJNVYFQRZAADEC-SECBINFHSA-N
XLogP1.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-iodo-3,4-dihydro-2H-chromen-4-ol
CID 130741729
(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol
CID 79002138
(4R)-7-ethyl-3,4-dihydro-2H-chromen-4-ol
CID 69174288
(4S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403844
(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403845
N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
CID 22218129
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
CID 58909283
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450
(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82717481
(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 15420539
(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 79014479

Frequently Asked Questions

What is the IUPAC name of (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol (CID 69173568) is (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol is CNc1ccc2c(c1)OCC[C@H]2O.
What is the InChIKey of (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZJNVYFQRZAADEC-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-7-2-3-8-9(12)4-5-13-10(8)6-7/h2-3,6,9,11-12H,4-5H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol?
(4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 179.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 69173568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).