tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide

C15H31N3O4 — CID 144633405

IUPACtert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide
SMILESCC.CC(C)(C)OC(=O)NCC(=O)N1CCCC1.CNC=O
InChIInChI=1S/C11H20N2O3.C2H5NO.C2H6/c1-11(2,3)16-10(15)12-8-9(14)13-6-4-5-7-13;1-3-2-4;1-2/h4-8H2,1-3H3,(H,12,15);2H,1H3,(H,3,4);1-2H3
InChIKeyPVVQRSSVKNVIPS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.52
Rot. Bonds3

About tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide

tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide (PubChem CID 144633405) has the molecular formula C15H31N3O4 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide
PubChem CID144633405
Molecular FormulaC15H31N3O4
Molecular Weight317.43 g/mol
Exact Mass317.23
IUPAC Nametert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide
SMILESCC.CC(C)(C)OC(=O)NCC(=O)N1CCCC1.CNC=O
InChIInChI=1S/C11H20N2O3.C2H5NO.C2H6/c1-11(2,3)16-10(15)12-8-9(14)13-6-4-5-7-13;1-3-2-4;1-2/h4-8H2,1-3H3,(H,12,15);2H,1H3,(H,3,4);1-2H3
InChIKeyPVVQRSSVKNVIPS-UHFFFAOYSA-N
XLogP1.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide?
The IUPAC name of tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide (CID 144633405) is tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide.
What is the SMILES notation for tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide?
The canonical SMILES for tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide is CC.CC(C)(C)OC(=O)NCC(=O)N1CCCC1.CNC=O.
What is the InChIKey of tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide?
The InChIKey is PVVQRSSVKNVIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.C2H5NO.C2H6/c1-11(2,3)16-10(15)12-8-9(14)13-6-4-5-7-13;1-3-2-4;1-2/h4-8H2,1-3H3,(H,12,15);2H,1H3,(H,3,4);1-2H3.
What are the key properties of tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide?
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide has a molecular weight of 317.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide is sourced from PubChem (CID 144633405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).