2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone

C14H15NO2 — CID 102648499

IUPAC2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H15NO2/c16-14(13-3-1-2-6-17-13)10-4-5-11-8-15-9-12(11)7-10/h3-5,7,15H,1-2,6,8-9H2
InChIKeyONVFDYHJJBSOKI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.17
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone

2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648499) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648499
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H15NO2/c16-14(13-3-1-2-6-17-13)10-4-5-11-8-15-9-12(11)7-10/h3-5,7,15H,1-2,6,8-9H2
InChIKeyONVFDYHJJBSOKI-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone 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

(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
(4-chloro-3-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648656
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
2,3-dihydrofuran-5-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 102652415
2,3-dihydrofuran-5-yl(naphthalen-2-yl)methanone
CID 10775502
cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116612878
cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116613110
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
CID 116612892
(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102650842

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648499) is 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is ONVFDYHJJBSOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(13-3-1-2-6-17-13)10-4-5-11-8-15-9-12(11)7-10/h3-5,7,15H,1-2,6,8-9H2.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).