(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol

C14H19NO2 — CID 10059884

IUPAC(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol
SMILESCN1CCC[C@H]1[C@H]1CCc2ccc(O)cc2O1
InChIInChI=1S/C14H19NO2/c1-15-8-2-3-12(15)13-7-5-10-4-6-11(16)9-14(10)17-13/h4,6,9,12-13,16H,2-3,5,7-8H2,1H3/t12-,13+/m0/s1
InChIKeyZNYNSJDQHMXNFR-QWHCGFSZSA-N
MW233.31 g/mol
LogP2.18
Rot. Bonds1

About (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol

(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol (PubChem CID 10059884) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol
PubChem CID10059884
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol
SMILESCN1CCC[C@H]1[C@H]1CCc2ccc(O)cc2O1
InChIInChI=1S/C14H19NO2/c1-15-8-2-3-12(15)13-7-5-10-4-6-11(16)9-14(10)17-13/h4,6,9,12-13,16H,2-3,5,7-8H2,1H3/t12-,13+/m0/s1
InChIKeyZNYNSJDQHMXNFR-QWHCGFSZSA-N
XLogP2.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol (CID 10059884) is (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol is CN1CCC[C@H]1[C@H]1CCc2ccc(O)cc2O1.
What is the InChIKey of (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is ZNYNSJDQHMXNFR-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-8-2-3-12(15)13-7-5-10-4-6-11(16)9-14(10)17-13/h4,6,9,12-13,16H,2-3,5,7-8H2,1H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol?
(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 233.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 10059884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).