3-morpholin-4-ylpropanoyl chloride

C7H12ClNO2 — CID 18967893

IUPAC3-morpholin-4-ylpropanoyl chloride
SMILESO=C(Cl)CCN1CCOCC1
InChIInChI=1S/C7H12ClNO2/c8-7(10)1-2-9-3-5-11-6-4-9/h1-6H2
InChIKeyFKLLBAVFTFNGDB-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.47
Rot. Bonds3

About 3-morpholin-4-ylpropanoyl chloride

3-morpholin-4-ylpropanoyl chloride (PubChem CID 18967893) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 3-morpholin-4-ylpropanoyl chloride.

Molecular Properties

Compound Name3-morpholin-4-ylpropanoyl chloride
PubChem CID18967893
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name3-morpholin-4-ylpropanoyl chloride
SMILESO=C(Cl)CCN1CCOCC1
InChIInChI=1S/C7H12ClNO2/c8-7(10)1-2-9-3-5-11-6-4-9/h1-6H2
InChIKeyFKLLBAVFTFNGDB-UHFFFAOYSA-N
XLogP0.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.47
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;hydrochloride
CID 19856369
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
3-piperidin-1-ylpropanoyl chloride;hydrochloride
CID 87714675
N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
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
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
2-[4-(carboxymethyl)-10-(3-oxobutyl)-1-oxa-4,7,10-triazacyclododec-7-yl]acetic acid
CID 164874664

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropanoyl chloride?
The IUPAC name of 3-morpholin-4-ylpropanoyl chloride (CID 18967893) is 3-morpholin-4-ylpropanoyl chloride.
What is the SMILES notation for 3-morpholin-4-ylpropanoyl chloride?
The canonical SMILES for 3-morpholin-4-ylpropanoyl chloride is O=C(Cl)CCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropanoyl chloride?
The InChIKey is FKLLBAVFTFNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c8-7(10)1-2-9-3-5-11-6-4-9/h1-6H2.
What are the key properties of 3-morpholin-4-ylpropanoyl chloride?
3-morpholin-4-ylpropanoyl chloride has a molecular weight of 177.63 g/mol, XLogP of 0.47, 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 is sourced from PubChem (CID 18967893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).