(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C12H16Cl2N2O3 — CID 102934660

IUPAC(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(Cl)c(Cl)n2C)CC(CO)O1
InChIInChI=1S/C12H16Cl2N2O3/c1-7-4-16(5-8(6-17)19-7)12(18)10-3-9(13)11(14)15(10)2/h3,7-8,17H,4-6H2,1-2H3
InChIKeyCKIZVWYNWSWTPU-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.55
Rot. Bonds2

About (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102934660) has the molecular formula C12H16Cl2N2O3 and a molecular weight of 307.18 g/mol. Its IUPAC name is (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102934660
Molecular FormulaC12H16Cl2N2O3
Molecular Weight307.18 g/mol
Exact Mass306.05
IUPAC Name(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(Cl)c(Cl)n2C)CC(CO)O1
InChIInChI=1S/C12H16Cl2N2O3/c1-7-4-16(5-8(6-17)19-7)12(18)10-3-9(13)11(14)15(10)2/h3,7-8,17H,4-6H2,1-2H3
InChIKeyCKIZVWYNWSWTPU-UHFFFAOYSA-N
XLogP1.55
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934476
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931481
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136
N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102976072
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932957
(2-amino-6-chloro-4-pyridinyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936186
(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932964
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102934660) is (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2cc(Cl)c(Cl)n2C)CC(CO)O1.
What is the InChIKey of (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is CKIZVWYNWSWTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3/c1-7-4-16(5-8(6-17)19-7)12(18)10-3-9(13)11(14)15(10)2/h3,7-8,17H,4-6H2,1-2H3.
What are the key properties of (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 307.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102934660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).