2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one

C14H17NO2 — CID 113339957

IUPAC2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CC1CCCO1
InChIInChI=1S/C14H17NO2/c16-14-13-6-2-1-4-11(13)7-8-15(14)10-12-5-3-9-17-12/h1-2,4,6,12H,3,5,7-10H2
InChIKeyXBEOYAYLKPEZHN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one

2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 113339957) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
PubChem CID113339957
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1CC1CCCO1
InChIInChI=1S/C14H17NO2/c16-14-13-6-2-1-4-11(13)7-8-15(14)10-12-5-3-9-17-12/h1-2,4,6,12H,3,5,7-10H2
InChIKeyXBEOYAYLKPEZHN-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 115773457
1-(oxolan-2-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456219
7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 65161418
2-(1-adamantyl)-N-[1-oxo-2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-5-yl]acetamide
CID 25063332
N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77034016
2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 104747758
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
(3R)-3-(aminomethyl)-2-[[(2R)-oxolan-2-yl]methyl]-3H-isoindol-1-one
CID 125450679

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one (CID 113339957) is 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is XBEOYAYLKPEZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14-13-6-2-1-4-11(13)7-8-15(14)10-12-5-3-9-17-12/h1-2,4,6,12H,3,5,7-10H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one?
2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 231.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 113339957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).