3-morpholin-4-ylpropanoyl chloride;hydrochloride

C7H13Cl2NO2 — CID 19856369

IUPAC3-morpholin-4-ylpropanoyl chloride;hydrochloride
SMILESCl.O=C(Cl)CCN1CCOCC1
InChIInChI=1S/C7H12ClNO2.ClH/c8-7(10)1-2-9-3-5-11-6-4-9;/h1-6H2;1H
InChIKeyFLZLPAPVHMBMAN-UHFFFAOYSA-N
MW214.09 g/mol
LogP0.90
Rot. Bonds3

About 3-morpholin-4-ylpropanoyl chloride;hydrochloride

3-morpholin-4-ylpropanoyl chloride;hydrochloride (PubChem CID 19856369) has the molecular formula C7H13Cl2NO2 and a molecular weight of 214.09 g/mol. Its IUPAC name is 3-morpholin-4-ylpropanoyl chloride;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-ylpropanoyl chloride;hydrochloride
PubChem CID19856369
Molecular FormulaC7H13Cl2NO2
Molecular Weight214.09 g/mol
Exact Mass213.03
IUPAC Name3-morpholin-4-ylpropanoyl chloride;hydrochloride
SMILESCl.O=C(Cl)CCN1CCOCC1
InChIInChI=1S/C7H12ClNO2.ClH/c8-7(10)1-2-9-3-5-11-6-4-9;/h1-6H2;1H
InChIKeyFLZLPAPVHMBMAN-UHFFFAOYSA-N
XLogP0.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-morpholin-4-ylpropanoyl chloride
CID 18967893
3-piperidin-1-ylpropanoyl chloride;hydrochloride
CID 87714675
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
N,N-diethyl-3-morpholin-4-ylpropanamide
CID 102409015
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
[2,2-bis[3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)propanoyloxymethyl]-3-[3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propanoyloxy]propyl] 3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propanoate
CID 102466071

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropanoyl chloride;hydrochloride?
The IUPAC name of 3-morpholin-4-ylpropanoyl chloride;hydrochloride (CID 19856369) is 3-morpholin-4-ylpropanoyl chloride;hydrochloride.
What is the SMILES notation for 3-morpholin-4-ylpropanoyl chloride;hydrochloride?
The canonical SMILES for 3-morpholin-4-ylpropanoyl chloride;hydrochloride is Cl.O=C(Cl)CCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropanoyl chloride;hydrochloride?
The InChIKey is FLZLPAPVHMBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2.ClH/c8-7(10)1-2-9-3-5-11-6-4-9;/h1-6H2;1H.
What are the key properties of 3-morpholin-4-ylpropanoyl chloride;hydrochloride?
3-morpholin-4-ylpropanoyl chloride;hydrochloride has a molecular weight of 214.09 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropanoyl chloride;hydrochloride is sourced from PubChem (CID 19856369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).