N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide

C14H24N2O2 — CID 79546445

IUPACN-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
SMILESCNC(=O)C(C)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C14H24N2O2/c1-10(14(18)15-2)16-9-5-7-12(16)11-6-3-4-8-13(11)17/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyCYVDVRPNYNUQJO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.34
Rot. Bonds3

About N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide

N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide (PubChem CID 79546445) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
PubChem CID79546445
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
SMILESCNC(=O)C(C)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C14H24N2O2/c1-10(14(18)15-2)16-9-5-7-12(16)11-6-3-4-8-13(11)17/h10-12H,3-9H2,1-2H3,(H,15,18)
InChIKeyCYVDVRPNYNUQJO-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide (CID 79546445) is N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide is CNC(=O)C(C)N1CCCC1C1CCCCC1=O.
What is the InChIKey of N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide?
The InChIKey is CYVDVRPNYNUQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(14(18)15-2)16-9-5-7-12(16)11-6-3-4-8-13(11)17/h10-12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide?
N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 79546445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).