3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol

C17H26N2O2 — CID 63165497

IUPAC3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
SMILESCCN(CC)C1CCN(C2COc3ccccc3C2O)C1
InChIInChI=1S/C17H26N2O2/c1-3-18(4-2)13-9-10-19(11-13)15-12-21-16-8-6-5-7-14(16)17(15)20/h5-8,13,15,17,20H,3-4,9-12H2,1-2H3
InChIKeyZLJFVTOYFKUYMQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds4

About 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol

3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 63165497) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID63165497
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
SMILESCCN(CC)C1CCN(C2COc3ccccc3C2O)C1
InChIInChI=1S/C17H26N2O2/c1-3-18(4-2)13-9-10-19(11-13)15-12-21-16-8-6-5-7-14(16)17(15)20/h5-8,13,15,17,20H,3-4,9-12H2,1-2H3
InChIKeyZLJFVTOYFKUYMQ-UHFFFAOYSA-N
XLogP1.90
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82186504
1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186520
3-(3-methoxypyrrolidin-1-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 103532266
(3R,4S)-3-[4-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 100733600
N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103495167
(3R,4S)-3-(5-bromo-8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 100733785
2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol
CID 63165668
3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103532291
6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82187138
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol (CID 63165497) is 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol is CCN(CC)C1CCN(C2COc3ccccc3C2O)C1.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZLJFVTOYFKUYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-18(4-2)13-9-10-19(11-13)15-12-21-16-8-6-5-7-14(16)17(15)20/h5-8,13,15,17,20H,3-4,9-12H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 290.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 63165497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).