2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one

C16H26N2O2Si — CID 101456517

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCC(C)(C)[Si](C)(C)OCCCN1Cc2ccncc2C1=O
InChIInChI=1S/C16H26N2O2Si/c1-16(2,3)21(4,5)20-10-6-9-18-12-13-7-8-17-11-14(13)15(18)19/h7-8,11H,6,9-10,12H2,1-5H3
InChIKeyIRDYEJKAWPVULY-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.45
Rot. Bonds5

About 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one

2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 101456517) has the molecular formula C16H26N2O2Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID101456517
Molecular FormulaC16H26N2O2Si
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCC(C)(C)[Si](C)(C)OCCCN1Cc2ccncc2C1=O
InChIInChI=1S/C16H26N2O2Si/c1-16(2,3)21(4,5)20-10-6-9-18-12-13-7-8-17-11-14(13)15(18)19/h7-8,11H,6,9-10,12H2,1-5H3
InChIKeyIRDYEJKAWPVULY-UHFFFAOYSA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylnicotinamide
CID 5497
3,4-Pyridinedicarboximide
CID 72926
N,N-Dipropylnicotinamide
CID 139084
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 6622480
1,2-Dihydro-3H-pyrrolo(3,4-c)pyridin-3-one
CID 20505166
2-(hydroxymethyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 736233
3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanoic acid
CID 712563
2-cyclohexyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 1263478
N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2225136
Nicotinamide, N,N-dihexyl-
CID 533165
2-[3-[Benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 44818783
Bas 00288115
CID 571608

Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one (CID 101456517) is 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one is CC(C)(C)[Si](C)(C)OCCCN1Cc2ccncc2C1=O.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is IRDYEJKAWPVULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2Si/c1-16(2,3)21(4,5)20-10-6-9-18-12-13-7-8-17-11-14(13)15(18)19/h7-8,11H,6,9-10,12H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 306.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 101456517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).