morpholine-4-carbonyl chloride;morpholine-4-carboxamide

C10H18ClN3O4 — CID 160802379

IUPACmorpholine-4-carbonyl chloride;morpholine-4-carboxamide
SMILESNC(=O)N1CCOCC1.O=C(Cl)N1CCOCC1
InChIInChI=1S/C5H8ClNO2.C5H10N2O2/c2*6-5(8)7-1-3-9-4-2-7/h1-4H2;1-4H2,(H2,6,8)
InChIKeySDGFDGOABUMWPR-UHFFFAOYSA-N
MW279.72 g/mol
LogP0.07
Rot. Bonds

About morpholine-4-carbonyl chloride;morpholine-4-carboxamide

morpholine-4-carbonyl chloride;morpholine-4-carboxamide (PubChem CID 160802379) has the molecular formula C10H18ClN3O4 and a molecular weight of 279.72 g/mol. Its IUPAC name is morpholine-4-carbonyl chloride;morpholine-4-carboxamide.

Molecular Properties

Compound Namemorpholine-4-carbonyl chloride;morpholine-4-carboxamide
PubChem CID160802379
Molecular FormulaC10H18ClN3O4
Molecular Weight279.72 g/mol
Exact Mass279.10
IUPAC Namemorpholine-4-carbonyl chloride;morpholine-4-carboxamide
SMILESNC(=O)N1CCOCC1.O=C(Cl)N1CCOCC1
InChIInChI=1S/C5H8ClNO2.C5H10N2O2/c2*6-5(8)7-1-3-9-4-2-7/h1-4H2;1-4H2,(H2,6,8)
InChIKeySDGFDGOABUMWPR-UHFFFAOYSA-N
XLogP0.07
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)acetic acid;morpholine-4-carboxamide
CID 69170925
4-morpholin-4-ylpiperidine-1-carbonyl chloride
CID 15700344
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CID 130942569
2-(1,4-oxazepan-4-yl)prop-2-enamide
CID 171431414
6-methyl-1,4-oxazepane-4-carbonyl chloride
CID 131001720
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
(4-formylphenyl) morpholine-4-carboxylate;morpholine-4-carbonyl chloride
CID 161498688
4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
CID 118526836
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
CID 136747595
CID 136747595
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153

Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbonyl chloride;morpholine-4-carboxamide?
The IUPAC name of morpholine-4-carbonyl chloride;morpholine-4-carboxamide (CID 160802379) is morpholine-4-carbonyl chloride;morpholine-4-carboxamide.
What is the SMILES notation for morpholine-4-carbonyl chloride;morpholine-4-carboxamide?
The canonical SMILES for morpholine-4-carbonyl chloride;morpholine-4-carboxamide is NC(=O)N1CCOCC1.O=C(Cl)N1CCOCC1.
What is the InChIKey of morpholine-4-carbonyl chloride;morpholine-4-carboxamide?
The InChIKey is SDGFDGOABUMWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO2.C5H10N2O2/c2*6-5(8)7-1-3-9-4-2-7/h1-4H2;1-4H2,(H2,6,8).
What are the key properties of morpholine-4-carbonyl chloride;morpholine-4-carboxamide?
morpholine-4-carbonyl chloride;morpholine-4-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbonyl chloride;morpholine-4-carboxamide is sourced from PubChem (CID 160802379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).