N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide

C14H20N2O2 — CID 146101994

IUPACN-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide
SMILESCC#CC(=O)NC1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C14H20N2O2/c1-2-4-13(17)15-11-6-8-12(9-7-11)16-10-3-5-14(16)18/h11-12H,3,5-10H2,1H3,(H,15,17)
InChIKeyRSHZREMGTYRETC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds2

About N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide

N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide (PubChem CID 146101994) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide
PubChem CID146101994
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide
SMILESCC#CC(=O)NC1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C14H20N2O2/c1-2-4-13(17)15-11-6-8-12(9-7-11)16-10-3-5-14(16)18/h11-12H,3,5-10H2,1H3,(H,15,17)
InChIKeyRSHZREMGTYRETC-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide (CID 146101994) is N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide is CC#CC(=O)NC1CCC(N2CCCC2=O)CC1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide?
The InChIKey is RSHZREMGTYRETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-4-13(17)15-11-6-8-12(9-7-11)16-10-3-5-14(16)18/h11-12H,3,5-10H2,1H3,(H,15,17).
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide?
N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide has a molecular weight of 248.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)cyclohexyl]but-2-ynamide is sourced from PubChem (CID 146101994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).