4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide

C13H18ClN3O3 — CID 119070958

IUPAC4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H18ClN3O3/c14-9-5-10(15-6-9)13(18)16-11-7-20-8-12(11)17-1-3-19-4-2-17/h5-6,11-12,15H,1-4,7-8H2,(H,16,18)/t11-,12-/m0/s1
InChIKeyLZOLJVNZKVXRCV-RYUDHWBXSA-N
MW299.76 g/mol
LogP0.50
Rot. Bonds3

About 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 119070958) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID119070958
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H18ClN3O3/c14-9-5-10(15-6-9)13(18)16-11-7-20-8-12(11)17-1-3-19-4-2-17/h5-6,11-12,15H,1-4,7-8H2,(H,16,18)/t11-,12-/m0/s1
InChIKeyLZOLJVNZKVXRCV-RYUDHWBXSA-N
XLogP0.50
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide (CID 119070958) is 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is LZOLJVNZKVXRCV-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c14-9-5-10(15-6-9)13(18)16-11-7-20-8-12(11)17-1-3-19-4-2-17/h5-6,11-12,15H,1-4,7-8H2,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119070958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).