3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one

C8H13N3O2 — CID 139223929

IUPAC3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(NN2CCOCC2)CN1
InChIInChI=1S/C8H13N3O2/c12-8-5-7(6-9-8)10-11-1-3-13-4-2-11/h5,10H,1-4,6H2,(H,9,12)
InChIKeyPGCGDATZDCBONE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.16
Rot. Bonds2

About 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one

3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one (PubChem CID 139223929) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one
PubChem CID139223929
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(NN2CCOCC2)CN1
InChIInChI=1S/C8H13N3O2/c12-8-5-7(6-9-8)10-11-1-3-13-4-2-11/h5,10H,1-4,6H2,(H,9,12)
InChIKeyPGCGDATZDCBONE-UHFFFAOYSA-N
XLogP-1.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one (CID 139223929) is 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one is O=C1C=C(NN2CCOCC2)CN1.
What is the InChIKey of 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one?
The InChIKey is PGCGDATZDCBONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-8-5-7(6-9-8)10-11-1-3-13-4-2-11/h5,10H,1-4,6H2,(H,9,12).
What are the key properties of 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one?
3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one has a molecular weight of 183.21 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 139223929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).