5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione

C15H16N2O3 — CID 62064873

IUPAC5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCC3CCC=CO3)cc2C1=O
InChIInChI=1S/C15H16N2O3/c1-17-14(18)12-6-5-10(8-13(12)15(17)19)16-9-11-4-2-3-7-20-11/h3,5-8,11,16H,2,4,9H2,1H3
InChIKeyKBTBCBKGYPTVHF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.02
Rot. Bonds3

About 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione

5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione (PubChem CID 62064873) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione
PubChem CID62064873
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCC3CCC=CO3)cc2C1=O
InChIInChI=1S/C15H16N2O3/c1-17-14(18)12-6-5-10(8-13(12)15(17)19)16-9-11-4-2-3-7-20-11/h3,5-8,11,16H,2,4,9H2,1H3
InChIKeyKBTBCBKGYPTVHF-UHFFFAOYSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione with MolForge

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Related Compounds

5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
1H-Isoindole-1,3(2H)-dione, 5-(dimethylamino)-2-methyl-
CID 657642
5-Amino-2-cyclohexylisoindole-1,3-dione
CID 804459
5-(4-Iodoanilino)-2-methylisoindole-1,3-dione
CID 46231002
5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione
CID 46231057
N-(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-methylbenzamide
CID 973482
N-(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-phenylacetamide
CID 973563
4-Monophenylamino-N-methylphthalimid
CID 46230999
5-(Diethylamino)-2-methylisoindole-1,3-dione
CID 665052
5-amino-2-(tetrahydro-2-furanylmethyl)-1H-isoindole-1,3(2H)-dione
CID 2925042
N-mesityl-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3244972

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione (CID 62064873) is 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(NCC3CCC=CO3)cc2C1=O.
What is the InChIKey of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione?
The InChIKey is KBTBCBKGYPTVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17-14(18)12-6-5-10(8-13(12)15(17)19)16-9-11-4-2-3-7-20-11/h3,5-8,11,16H,2,4,9H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione?
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione has a molecular weight of 272.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 62064873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).