(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone

C13H16INO2 — CID 47163087

IUPAC(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(I)c2)C(C)CO1
InChIInChI=1S/C13H16INO2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMXIDVHLBRMPNJT-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.54
Rot. Bonds1

About (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone

(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone (PubChem CID 47163087) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
PubChem CID47163087
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC Name(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
SMILESCC1CN(C(=O)c2cccc(I)c2)C(C)CO1
InChIInChI=1S/C13H16INO2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMXIDVHLBRMPNJT-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 51077390
(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103734967
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60817027
(2-bromo-5-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103989123
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420928
4-(2,5-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 103612536
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593400

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone (CID 47163087) is (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone is CC1CN(C(=O)c2cccc(I)c2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone?
The InChIKey is MXIDVHLBRMPNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO2/c1-9-8-17-10(2)7-15(9)13(16)11-4-3-5-12(14)6-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone?
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone has a molecular weight of 345.18 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone is sourced from PubChem (CID 47163087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).