1-morpholin-4-ylpropan-2-one;hydrochloride

C7H14ClNO2 — CID 67491798

IUPAC1-morpholin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)CN1CCOCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(9)6-8-2-4-10-5-3-8;/h2-6H2,1H3;1H
InChIKeyLDOSDZBOYQDEBL-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.33
Rot. Bonds2

About 1-morpholin-4-ylpropan-2-one;hydrochloride

1-morpholin-4-ylpropan-2-one;hydrochloride (PubChem CID 67491798) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-one;hydrochloride
PubChem CID67491798
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name1-morpholin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)CN1CCOCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(9)6-8-2-4-10-5-3-8;/h2-6H2,1H3;1H
InChIKeyLDOSDZBOYQDEBL-UHFFFAOYSA-N
XLogP0.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl(113C)propan-2-(18O)one;1-morpholin-4-yl(213C)propan-2-(18O)one;1-(18O)morpholin-4-yl(113C)propan-2-one;1-(18O)morpholin-4-yl(213C)propan-2-one
CID 159117929
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
3-methyl-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
CID 134690671
methyl 2-morpholin-4-ylacetate
CID 1268178
2-methyl-3-morpholin-4-ylprop-1-en-1-one
CID 87850524
2-[4-(carboxymethyl)-10-(3-oxobutyl)-1-oxa-4,7,10-triazacyclododec-7-yl]acetic acid
CID 164874664
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
sodium 3-methyl-4-morpholin-4-ylbut-2-enoate
CID 126782013

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-one;hydrochloride?
The IUPAC name of 1-morpholin-4-ylpropan-2-one;hydrochloride (CID 67491798) is 1-morpholin-4-ylpropan-2-one;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-one;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylpropan-2-one;hydrochloride is CC(=O)CN1CCOCC1.Cl.
What is the InChIKey of 1-morpholin-4-ylpropan-2-one;hydrochloride?
The InChIKey is LDOSDZBOYQDEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-7(9)6-8-2-4-10-5-3-8;/h2-6H2,1H3;1H.
What are the key properties of 1-morpholin-4-ylpropan-2-one;hydrochloride?
1-morpholin-4-ylpropan-2-one;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-one;hydrochloride is sourced from PubChem (CID 67491798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).