2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide

C15H21N3O3 — CID 156882709

IUPAC2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide
SMILESCCCC(C=O)N1Cc2cc(N)ccc2C1=O.CNC=O
InChIInChI=1S/C13H16N2O2.C2H5NO/c1-2-3-11(8-16)15-7-9-6-10(14)4-5-12(9)13(15)17;1-3-2-4/h4-6,8,11H,2-3,7,14H2,1H3;2H,1H3,(H,3,4)
InChIKeySMDVTOVQTTUIQQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.95
Rot. Bonds5

About 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide

2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide (PubChem CID 156882709) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide.

Molecular Properties

Compound Name2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide
PubChem CID156882709
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide
SMILESCCCC(C=O)N1Cc2cc(N)ccc2C1=O.CNC=O
InChIInChI=1S/C13H16N2O2.C2H5NO/c1-2-3-11(8-16)15-7-9-6-10(14)4-5-12(9)13(15)17;1-3-2-4/h4-6,8,11H,2-3,7,14H2,1H3;2H,1H3,(H,3,4)
InChIKeySMDVTOVQTTUIQQ-UHFFFAOYSA-N
XLogP0.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 166694732
2-[5-(1-aminocyclopropyl)-7-chloro-3-oxo-1H-isoindol-2-yl]pentanal;N-methylformamide
CID 177243621
N-methylformamide;2-[3-oxo-6-[4-[[4-(2-piperidin-4-yloxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-isoindol-2-yl]pentanal
CID 171511252
4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide
CID 22093158
N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 142407969
(2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanal
CID 173253083
5-(methylamino)-2-[3-oxo-6-(4-propoxybut-1-ynyl)-1H-isoindol-2-yl]hex-5-enal
CID 156883313
2-[6-[7-(3-azaspiro[5.5]undecan-3-yl)heptylsulfanyl]-3-oxo-1H-isoindol-2-yl]pentanal
CID 166921163
4-[6-[8-(diethylamino)octylsulfanyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166921446
5-amino-2-tert-butyl-3H-isoindol-1-one
CID 130019061
5-amino-2-(2-propylcyclopropyl)-3H-isoindol-1-one
CID 123695104
4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 177161201

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide?
The IUPAC name of 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide (CID 156882709) is 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide.
What is the SMILES notation for 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide?
The canonical SMILES for 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide is CCCC(C=O)N1Cc2cc(N)ccc2C1=O.CNC=O.
What is the InChIKey of 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide?
The InChIKey is SMDVTOVQTTUIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C2H5NO/c1-2-3-11(8-16)15-7-9-6-10(14)4-5-12(9)13(15)17;1-3-2-4/h4-6,8,11H,2-3,7,14H2,1H3;2H,1H3,(H,3,4).
What are the key properties of 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide?
2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide has a molecular weight of 291.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide is sourced from PubChem (CID 156882709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).