1-morpholin-4-ylheptan-1-one;hydrochloride

C11H22ClNO2 — CID 175124060

IUPAC1-morpholin-4-ylheptan-1-one;hydrochloride
SMILESCCCCCCC(=O)N1CCOCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-3-4-5-6-11(13)12-7-9-14-10-8-12;/h2-10H2,1H3;1H
InChIKeyYGUSEOCBKXCZLC-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.24
Rot. Bonds5

About 1-morpholin-4-ylheptan-1-one;hydrochloride

1-morpholin-4-ylheptan-1-one;hydrochloride (PubChem CID 175124060) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 1-morpholin-4-ylheptan-1-one;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylheptan-1-one;hydrochloride
PubChem CID175124060
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name1-morpholin-4-ylheptan-1-one;hydrochloride
SMILESCCCCCCC(=O)N1CCOCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-3-4-5-6-11(13)12-7-9-14-10-8-12;/h2-10H2,1H3;1H
InChIKeyYGUSEOCBKXCZLC-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-pyrrolidin-1-ylheptadecan-1-one
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5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
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CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one
CID 54148316
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
5-amino-1-morpholin-4-ylpentan-1-one
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CID 10043612

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylheptan-1-one;hydrochloride?
The IUPAC name of 1-morpholin-4-ylheptan-1-one;hydrochloride (CID 175124060) is 1-morpholin-4-ylheptan-1-one;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylheptan-1-one;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylheptan-1-one;hydrochloride is CCCCCCC(=O)N1CCOCC1.Cl.
What is the InChIKey of 1-morpholin-4-ylheptan-1-one;hydrochloride?
The InChIKey is YGUSEOCBKXCZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-2-3-4-5-6-11(13)12-7-9-14-10-8-12;/h2-10H2,1H3;1H.
What are the key properties of 1-morpholin-4-ylheptan-1-one;hydrochloride?
1-morpholin-4-ylheptan-1-one;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylheptan-1-one;hydrochloride is sourced from PubChem (CID 175124060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).