N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide

C12H21N3O2 — CID 79110439

IUPACN-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide
SMILESCNC1CCC(NC(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C12H21N3O2/c1-13-8-2-4-9(5-3-8)14-12(17)10-6-7-11(16)15-10/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyFFQZQKSXJZXPAB-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.09
Rot. Bonds3

About N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide

N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 79110439) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID79110439
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide
SMILESCNC1CCC(NC(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C12H21N3O2/c1-13-8-2-4-9(5-3-8)14-12(17)10-6-7-11(16)15-10/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyFFQZQKSXJZXPAB-UHFFFAOYSA-N
XLogP-0.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide (CID 79110439) is N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide is CNC1CCC(NC(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FFQZQKSXJZXPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-8-2-4-9(5-3-8)14-12(17)10-6-7-11(16)15-10/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide?
N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 79110439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).