(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone

C10H13ClN2O2 — CID 94145769

IUPAC(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H13ClN2O2/c1-7-6-15-3-2-13(7)10(14)9-4-8(11)5-12-9/h4-5,7,12H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyWGWYKKJHGAGPBQ-SSDOTTSWSA-N
MW228.68 g/mol
LogP1.53
Rot. Bonds1

About (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 94145769) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID94145769
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H13ClN2O2/c1-7-6-15-3-2-13(7)10(14)9-4-8(11)5-12-9/h4-5,7,12H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyWGWYKKJHGAGPBQ-SSDOTTSWSA-N
XLogP1.53
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (CID 94145769) is (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone is C[C@@H]1COCCN1C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is WGWYKKJHGAGPBQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-6-15-3-2-13(7)10(14)9-4-8(11)5-12-9/h4-5,7,12H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 228.68 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 94145769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).