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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1'-ethylspiro[3,4-dihydrobenzo[h]chromene-2,3'-piperidine]-4-ol
CID 168293110
1-(4-Methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 2998658
N,N,5,6-tetrapropyl-3,4-dihydro-2H-chromen-3-amine
CID 44276594
1-[3-(2,3-Dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
(3S,4R)-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrobenzo[h]chromen-3-ol
CID 13223061
7,8-Dimethyl-4-(piperidin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol--hydrogen chloride (1/1)
CID 41723
7,8-Dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 41725
1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-piperidino-, hydrochloride, (E)-
CID 41726
1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-, (Z)-
CID 41773
1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol
CID 39352195
7-(2,6-dimethylphenyl)-N,N-dimethylchroman-3-amine
CID 46233483
1-[3-(2,3,5-Trimethylphenoxy)propyl]piperidin-4-ol
CID 162667619

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).