2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol

C13H17NO2 — CID 117046599

IUPAC2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol
SMILESOc1ccc2c(c1)CCC(C1CCCN1)O2
InChIInChI=1S/C13H17NO2/c15-10-4-6-12-9(8-10)3-5-13(16-12)11-2-1-7-14-11/h4,6,8,11,13-15H,1-3,5,7H2
InChIKeyWYCJWCZXUKVMPH-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.84
Rot. Bonds1

About 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol

2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol (PubChem CID 117046599) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol
PubChem CID117046599
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol
SMILESOc1ccc2c(c1)CCC(C1CCCN1)O2
InChIInChI=1S/C13H17NO2/c15-10-4-6-12-9(8-10)3-5-13(16-12)11-2-1-7-14-11/h4,6,8,11,13-15H,1-3,5,7H2
InChIKeyWYCJWCZXUKVMPH-UHFFFAOYSA-N
XLogP1.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine
CID 117046569
(2R)-2-[(2S)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-chromen-6-ol
CID 10220538
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 83359300
2-(2,3-dihydro-1-benzofuran-2-yl)piperidine
CID 54034431
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
CID 54031293
6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate
CID 21283842
(2S)-2-[2-(4-hydroxy-3-methylphenyl)cyclopentyl]-3,4-dihydro-2H-chromen-6-ol
CID 142775349
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
3,4-dihydro-2H-1,2-benzoxazin-6-ol
CID 66693230
(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol
CID 129388939

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol (CID 117046599) is 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol is Oc1ccc2c(c1)CCC(C1CCCN1)O2.
What is the InChIKey of 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is WYCJWCZXUKVMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-4-6-12-9(8-10)3-5-13(16-12)11-2-1-7-14-11/h4,6,8,11,13-15H,1-3,5,7H2.
What are the key properties of 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol?
2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 219.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 117046599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).