N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide

C17H20N2O2 — CID 166427367

IUPACN-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESCCN(C(=O)C12CC1C2)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H20N2O2/c1-2-18(16(21)17-10-12(17)11-17)14-8-9-19(15(14)20)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyRNHHBCHURMERQW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds4

About N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide

N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166427367) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
PubChem CID166427367
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESCCN(C(=O)C12CC1C2)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H20N2O2/c1-2-18(16(21)17-10-12(17)11-17)14-8-9-19(15(14)20)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyRNHHBCHURMERQW-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide (CID 166427367) is N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide is CCN(C(=O)C12CC1C2)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is RNHHBCHURMERQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-18(16(21)17-10-12(17)11-17)14-8-9-19(15(14)20)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide?
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166427367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).