methyl (2R)-2-phenylpropanimidate

C10H13NO — CID 92977760

IUPACmethyl (2R)-2-phenylpropanimidate
SMILES[H]/N=C(\OC)[C@H](C)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8,11H,1-2H3/b11-10-/t8-/m1/s1
InChIKeyMHUYUZCILQLIPS-OZEWEUHLSA-N
MW163.22 g/mol
LogP2.41
Rot. Bonds2

About methyl (2R)-2-phenylpropanimidate

methyl (2R)-2-phenylpropanimidate (PubChem CID 92977760) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is methyl (2R)-2-phenylpropanimidate.

Molecular Properties

Compound Namemethyl (2R)-2-phenylpropanimidate
PubChem CID92977760
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Namemethyl (2R)-2-phenylpropanimidate
SMILES[H]/N=C(\OC)[C@H](C)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8,11H,1-2H3/b11-10-/t8-/m1/s1
InChIKeyMHUYUZCILQLIPS-OZEWEUHLSA-N
XLogP2.41
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethenyl 2-phenylpropanimidate
CID 151371643
methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate
CID 20697397
2-phenylpropanimidoyl 3-methoxybenzenecarboximidate
CID 142004050
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
methyl 2-phenylpropanoate;sulfuryl dichloride
CID 174591515
(3R)-3-phenylbut-1-en-2-ol
CID 89028601
1,1-dimethoxy-3-phenylbutan-2-one
CID 141011761
methyl (3S)-3-phenyl-2-sulfinylbutanoate
CID 134877287
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
cumene;hydrogen peroxide
CID 21225480

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenylpropanimidate?
The IUPAC name of methyl (2R)-2-phenylpropanimidate (CID 92977760) is methyl (2R)-2-phenylpropanimidate.
What is the SMILES notation for methyl (2R)-2-phenylpropanimidate?
The canonical SMILES for methyl (2R)-2-phenylpropanimidate is [H]/N=C(\OC)[C@H](C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-phenylpropanimidate?
The InChIKey is MHUYUZCILQLIPS-OZEWEUHLSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8,11H,1-2H3/b11-10-/t8-/m1/s1.
What are the key properties of methyl (2R)-2-phenylpropanimidate?
methyl (2R)-2-phenylpropanimidate has a molecular weight of 163.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenylpropanimidate is sourced from PubChem (CID 92977760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).