methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride

C10H14ClNO — CID 139081560

IUPACmethyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride
SMILESC[NH2+][C@@H](C(C)=O)c1ccccc1.[Cl-]
InChIInChI=1S/C10H13NO.ClH/c1-8(12)10(11-2)9-6-4-3-5-7-9;/h3-7,10-11H,1-2H3;1H/t10-;/m0./s1
InChIKeyVCQGVOKLIVKHSD-PPHPATTJSA-N
MW199.68 g/mol
LogP-2.49
Rot. Bonds3

About methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride

methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride (PubChem CID 139081560) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride.

Molecular Properties

Compound Namemethyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride
PubChem CID139081560
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Namemethyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride
SMILESC[NH2+][C@@H](C(C)=O)c1ccccc1.[Cl-]
InChIInChI=1S/C10H13NO.ClH/c1-8(12)10(11-2)9-6-4-3-5-7-9;/h3-7,10-11H,1-2H3;1H/t10-;/m0./s1
InChIKeyVCQGVOKLIVKHSD-PPHPATTJSA-N
XLogP-2.49
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 5-2.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-iodo-1-phenylpropan-2-one
CID 11322912
acetic acid;cumene
CID 172767405
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
(3S,4S)-3-methyl-4-phenylpentan-2-one
CID 13413211
(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
(3R,4R)-3-methyl-4-phenylpentan-2-one
CID 13413213
1-chloro-1-phenylpropan-2-one;ethane
CID 143290485
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
ethane;3-phenylhexane-2,5-dione;yttrium
CID 161208727
3-oxo-2-phenylbutanoyl chloride
CID 141413709
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
dimethyl-(2-oxo-1-phenylpropyl)sulfanium
CID 58905989

Frequently Asked Questions

What is the IUPAC name of methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride?
The IUPAC name of methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride (CID 139081560) is methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride.
What is the SMILES notation for methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride?
The canonical SMILES for methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride is C[NH2+][C@@H](C(C)=O)c1ccccc1.[Cl-].
What is the InChIKey of methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride?
The InChIKey is VCQGVOKLIVKHSD-PPHPATTJSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-8(12)10(11-2)9-6-4-3-5-7-9;/h3-7,10-11H,1-2H3;1H/t10-;/m0./s1.
What are the key properties of methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride?
methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride has a molecular weight of 199.68 g/mol, XLogP of -2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1R)-2-oxo-1-phenylpropyl]azanium chloride is sourced from PubChem (CID 139081560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).