(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C14H21ClN2O3 — CID 81219803

IUPAC(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C14H21ClN2O3/c1-9(2)16-5-11(15)4-13(16)14(19)17-6-12(7-18)20-8-10(17)3/h4-5,9-10,12,18H,6-8H2,1-3H3
InChIKeyYMZNZSDPSJPVQR-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.94
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81219803) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81219803
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C14H21ClN2O3/c1-9(2)16-5-11(15)4-13(16)14(19)17-6-12(7-18)20-8-10(17)3/h4-5,9-10,12,18H,6-8H2,1-3H3
InChIKeyYMZNZSDPSJPVQR-UHFFFAOYSA-N
XLogP1.94
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43643737
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43641682
[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97329931
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 110027448
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61409094
(3,5-dichloro-4-methoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208657
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476
[2-chloro-6-(methylamino)-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213227
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107376367

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81219803) is (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1cc(Cl)cn1C(C)C.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is YMZNZSDPSJPVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(2)16-5-11(15)4-13(16)14(19)17-6-12(7-18)20-8-10(17)3/h4-5,9-10,12,18H,6-8H2,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 300.79 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81219803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).