2-chloro-1-morpholin-4-ylnonan-1-one

C13H24ClNO2 — CID 55048109

IUPAC2-chloro-1-morpholin-4-ylnonan-1-one
SMILESCCCCCCCC(Cl)C(=O)N1CCOCC1
InChIInChI=1S/C13H24ClNO2/c1-2-3-4-5-6-7-12(14)13(16)15-8-10-17-11-9-15/h12H,2-11H2,1H3
InChIKeyYBUIROHZBXJBFU-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.81
Rot. Bonds7

About 2-chloro-1-morpholin-4-ylnonan-1-one

2-chloro-1-morpholin-4-ylnonan-1-one (PubChem CID 55048109) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-ylnonan-1-one.

Molecular Properties

Compound Name2-chloro-1-morpholin-4-ylnonan-1-one
PubChem CID55048109
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name2-chloro-1-morpholin-4-ylnonan-1-one
SMILESCCCCCCCC(Cl)C(=O)N1CCOCC1
InChIInChI=1S/C13H24ClNO2/c1-2-3-4-5-6-7-12(14)13(16)15-8-10-17-11-9-15/h12H,2-11H2,1H3
InChIKeyYBUIROHZBXJBFU-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-morpholin-4-ylhexan-1-one
CID 62226127
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302
(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone
CID 92652719
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-morpholin-4-yldecanoic acid
CID 57259608
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
12-morpholin-4-yl-3-octyl-12-sulfanylidenedodecan-2-one
CID 88795607
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-ylnonan-1-one?
The IUPAC name of 2-chloro-1-morpholin-4-ylnonan-1-one (CID 55048109) is 2-chloro-1-morpholin-4-ylnonan-1-one.
What is the SMILES notation for 2-chloro-1-morpholin-4-ylnonan-1-one?
The canonical SMILES for 2-chloro-1-morpholin-4-ylnonan-1-one is CCCCCCCC(Cl)C(=O)N1CCOCC1.
What is the InChIKey of 2-chloro-1-morpholin-4-ylnonan-1-one?
The InChIKey is YBUIROHZBXJBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-2-3-4-5-6-7-12(14)13(16)15-8-10-17-11-9-15/h12H,2-11H2,1H3.
What are the key properties of 2-chloro-1-morpholin-4-ylnonan-1-one?
2-chloro-1-morpholin-4-ylnonan-1-one has a molecular weight of 261.79 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-morpholin-4-ylnonan-1-one is sourced from PubChem (CID 55048109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).