N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide

C11H17N3O2 — CID 103195098

IUPACN-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
SMILESO=C1NCC2C1CCCN2C(=O)NC1CC1
InChIInChI=1S/C11H17N3O2/c15-10-8-2-1-5-14(9(8)6-12-10)11(16)13-7-3-4-7/h7-9H,1-6H2,(H,12,15)(H,13,16)
InChIKeyGJCFYBZNPQGTSI-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.07
Rot. Bonds1

About N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide

N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide (PubChem CID 103195098) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
PubChem CID103195098
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide
SMILESO=C1NCC2C1CCCN2C(=O)NC1CC1
InChIInChI=1S/C11H17N3O2/c15-10-8-2-1-5-14(9(8)6-12-10)11(16)13-7-3-4-7/h7-9H,1-6H2,(H,12,15)(H,13,16)
InChIKeyGJCFYBZNPQGTSI-UHFFFAOYSA-N
XLogP0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 118738734
(3R,8aR)-3-(2-methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 162987928
(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 119031176
rac-(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 122163742
(8aS)-7-(cyclopentanecarbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75368409
(4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 91654543
3-(2-Methylpropyl)-1,3,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,5-dione
CID 90706273
rac-(4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one, cis
CID 92845012
cis-3a-Fluoro-5-isopropyl-N-methyl-4-oxohexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxamide
CID 97521723
1-(4-amino-1,1,1-trifluorobutan-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194950
1-(2,2,2-trifluoroacetyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198433
1-(2,2-difluoroacetyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103516150

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The IUPAC name of N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide (CID 103195098) is N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide is O=C1NCC2C1CCCN2C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
The InChIKey is GJCFYBZNPQGTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-8-2-1-5-14(9(8)6-12-10)11(16)13-7-3-4-7/h7-9H,1-6H2,(H,12,15)(H,13,16).
What are the key properties of N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide?
N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide is sourced from PubChem (CID 103195098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).