3-morpholin-4-ylpyrrolidine-1-carboxamide

C9H17N3O2 — CID 63168198

IUPAC3-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C9H17N3O2/c10-9(13)12-2-1-8(7-12)11-3-5-14-6-4-11/h8H,1-7H2,(H2,10,13)
InChIKeyJHBHJAPEFMNSTO-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.53
Rot. Bonds1

About 3-morpholin-4-ylpyrrolidine-1-carboxamide

3-morpholin-4-ylpyrrolidine-1-carboxamide (PubChem CID 63168198) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-morpholin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-ylpyrrolidine-1-carboxamide
PubChem CID63168198
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C9H17N3O2/c10-9(13)12-2-1-8(7-12)11-3-5-14-6-4-11/h8H,1-7H2,(H2,10,13)
InChIKeyJHBHJAPEFMNSTO-UHFFFAOYSA-N
XLogP-0.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-morpholin-4-ylpyrrolidine-1-carboxamide (CID 63168198) is 3-morpholin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-morpholin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-morpholin-4-ylpyrrolidine-1-carboxamide is NC(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is JHBHJAPEFMNSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-9(13)12-2-1-8(7-12)11-3-5-14-6-4-11/h8H,1-7H2,(H2,10,13).
What are the key properties of 3-morpholin-4-ylpyrrolidine-1-carboxamide?
3-morpholin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 63168198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).