N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C12H21N3O2 — CID 81485103

IUPACN-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CNC(=O)C1)C1CCC(N)CC1
InChIInChI=1S/C12H21N3O2/c1-15(10-4-2-9(13)3-5-10)12(17)8-6-11(16)14-7-8/h8-10H,2-7,13H2,1H3,(H,14,16)
InChIKeyWKJRBTRZNMXMFH-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.15
Rot. Bonds2

About N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 81485103) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID81485103
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CNC(=O)C1)C1CCC(N)CC1
InChIInChI=1S/C12H21N3O2/c1-15(10-4-2-9(13)3-5-10)12(17)8-6-11(16)14-7-8/h8-10H,2-7,13H2,1H3,(H,14,16)
InChIKeyWKJRBTRZNMXMFH-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 81485103) is N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(C(=O)C1CNC(=O)C1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WKJRBTRZNMXMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15(10-4-2-9(13)3-5-10)12(17)8-6-11(16)14-7-8/h8-10H,2-7,13H2,1H3,(H,14,16).
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 81485103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).