(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone

C14H15ClN2O3 — CID 124609210

IUPAC(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
SMILESCn1cc(Cl)cc1C(=O)N1CCO[C@H](c2ccco2)C1
InChIInChI=1S/C14H15ClN2O3/c1-16-8-10(15)7-11(16)14(18)17-4-6-20-13(9-17)12-3-2-5-19-12/h2-3,5,7-8,13H,4,6,9H2,1H3/t13-/m0/s1
InChIKeyNSIGKNPUOAXNQM-ZDUSSCGKSA-N
MW294.74 g/mol
LogP2.49
Rot. Bonds2

About (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone

(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone (PubChem CID 124609210) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
PubChem CID124609210
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
SMILESCn1cc(Cl)cc1C(=O)N1CCO[C@H](c2ccco2)C1
InChIInChI=1S/C14H15ClN2O3/c1-16-8-10(15)7-11(16)14(18)17-4-6-20-13(9-17)12-3-2-5-19-12/h2-3,5,7-8,13H,4,6,9H2,1H3/t13-/m0/s1
InChIKeyNSIGKNPUOAXNQM-ZDUSSCGKSA-N
XLogP2.49
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129338513
(4-bromo-1-methylpyrrol-2-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 87011263
1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
CID 86821175
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609246
(4-chloro-1-methylpyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56810671
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 124619649
(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609222
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 138000629
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
(4-chloro-1-methylpyrrol-2-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81482980

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone (CID 124609210) is (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone is Cn1cc(Cl)cc1C(=O)N1CCO[C@H](c2ccco2)C1.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The InChIKey is NSIGKNPUOAXNQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-16-8-10(15)7-11(16)14(18)17-4-6-20-13(9-17)12-3-2-5-19-12/h2-3,5,7-8,13H,4,6,9H2,1H3/t13-/m0/s1.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone has a molecular weight of 294.74 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124609210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).