7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol

C15H21NO2 — CID 82186754

IUPAC7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1C)OCC(N1CCCC1)C2O
InChIInChI=1S/C15H21NO2/c1-10-5-6-12-14(17)13(16-7-3-4-8-16)9-18-15(12)11(10)2/h5-6,13-14,17H,3-4,7-9H2,1-2H3
InChIKeyFKTHFRPJYQHBGY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.19
Rot. Bonds1

About 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol

7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186754) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186754
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1C)OCC(N1CCCC1)C2O
InChIInChI=1S/C15H21NO2/c1-10-5-6-12-14(17)13(16-7-3-4-8-16)9-18-15(12)11(10)2/h5-6,13-14,17H,3-4,7-9H2,1-2H3
InChIKeyFKTHFRPJYQHBGY-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol (CID 82186754) is 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1C)OCC(N1CCCC1)C2O.
What is the InChIKey of 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is FKTHFRPJYQHBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-5-6-12-14(17)13(16-7-3-4-8-16)9-18-15(12)11(10)2/h5-6,13-14,17H,3-4,7-9H2,1-2H3.
What are the key properties of 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol?
7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 247.34 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).