N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C12H19N3O2 — CID 113266766

IUPACN-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1CCC(NC(=O)C2CC3CCC2N3)C1=O
InChIInChI=1S/C12H19N3O2/c1-15-5-4-10(12(15)17)14-11(16)8-6-7-2-3-9(8)13-7/h7-10,13H,2-6H2,1H3,(H,14,16)
InChIKeyNKAGTQPJNDYZHP-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.53
Rot. Bonds2

About N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 113266766) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID113266766
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1CCC(NC(=O)C2CC3CCC2N3)C1=O
InChIInChI=1S/C12H19N3O2/c1-15-5-4-10(12(15)17)14-11(16)8-6-7-2-3-9(8)13-7/h7-10,13H,2-6H2,1H3,(H,14,16)
InChIKeyNKAGTQPJNDYZHP-UHFFFAOYSA-N
XLogP-0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119782035
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
(2S)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119322682
N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 103796632
N-(1-methyl-2-oxopyrrolidin-3-yl)azepane-2-carboxamide
CID 104954776
(1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 167957491
N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103812773
N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114629668
N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114123022
3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-2-carboxamide
CID 106256043
N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113267465
N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119322684

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 113266766) is N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CN1CCC(NC(=O)C2CC3CCC2N3)C1=O.
What is the InChIKey of N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NKAGTQPJNDYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-5-4-10(12(15)17)14-11(16)8-6-7-2-3-9(8)13-7/h7-10,13H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 113266766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).