(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone

C9H13N3O2 — CID 117213589

IUPAC(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
SMILESNc1[nH]ccc1C(=O)N1CCOCC1
InChIInChI=1S/C9H13N3O2/c10-8-7(1-2-11-8)9(13)12-3-5-14-6-4-12/h1-2,11H,3-6,10H2
InChIKeyXXUBCZJYYAXFDC-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.07
Rot. Bonds1

About (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone

(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone (PubChem CID 117213589) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
PubChem CID117213589
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
SMILESNc1[nH]ccc1C(=O)N1CCOCC1
InChIInChI=1S/C9H13N3O2/c10-8-7(1-2-11-8)9(13)12-3-5-14-6-4-12/h1-2,11H,3-6,10H2
InChIKeyXXUBCZJYYAXFDC-UHFFFAOYSA-N
XLogP0.07
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone (CID 117213589) is (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone is Nc1[nH]ccc1C(=O)N1CCOCC1.
What is the InChIKey of (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is XXUBCZJYYAXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-8-7(1-2-11-8)9(13)12-3-5-14-6-4-12/h1-2,11H,3-6,10H2.
What are the key properties of (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone?
(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 195.22 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 117213589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).