(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone

C10H12Cl2N2O2 — CID 78862378

IUPAC(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C10H12Cl2N2O2/c1-6-5-16-3-2-14(6)10(15)8-4-7(11)9(12)13-8/h4,6,13H,2-3,5H2,1H3
InChIKeyAXULBVQLJKXENI-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.18
Rot. Bonds1

About (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone

(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 78862378) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
PubChem CID78862378
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C10H12Cl2N2O2/c1-6-5-16-3-2-14(6)10(15)8-4-7(11)9(12)13-8/h4,6,13H,2-3,5H2,1H3
InChIKeyAXULBVQLJKXENI-UHFFFAOYSA-N
XLogP2.18
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone (CID 78862378) is (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is AXULBVQLJKXENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-6-5-16-3-2-14(6)10(15)8-4-7(11)9(12)13-8/h4,6,13H,2-3,5H2,1H3.
What are the key properties of (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 263.12 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 78862378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).