(2R)-3-imino-2-methyl-1-phenylpropan-1-one

C10H11NO — CID 7157390

IUPAC(2R)-3-imino-2-methyl-1-phenylpropan-1-one
SMILES[H]/N=C/[C@@H](C)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-8,11H,1H3/b11-7+/t8-/m1/s1
InChIKeyDZAYCCKBPPQWRG-XAPLUZPNSA-N
MW161.20 g/mol
LogP2.15
Rot. Bonds3

About (2R)-3-imino-2-methyl-1-phenylpropan-1-one

(2R)-3-imino-2-methyl-1-phenylpropan-1-one (PubChem CID 7157390) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R)-3-imino-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-imino-2-methyl-1-phenylpropan-1-one
PubChem CID7157390
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(2R)-3-imino-2-methyl-1-phenylpropan-1-one
SMILES[H]/N=C/[C@@H](C)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-8,11H,1H3/b11-7+/t8-/m1/s1
InChIKeyDZAYCCKBPPQWRG-XAPLUZPNSA-N
XLogP2.15
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methanimidoyl-3-oxo-3-phenylpropanoic acid
CID 54510773
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
(E,2S)-2-methyl-1-phenylpent-3-en-1-one
CID 129364114
(E)-2-methyl-1-phenylhept-3-en-1-one
CID 102481541
2,3-di(ethanimidoyl)-1,4-diphenylbutane-1,4-dione
CID 86121634
1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione
CID 102162472
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
2-methyl-3-oxo-3-phenylpropanoate
CID 23290395
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
2-methyl-1-phenylpropan-1-one;1-phenylethanone
CID 162124258

Frequently Asked Questions

What is the IUPAC name of (2R)-3-imino-2-methyl-1-phenylpropan-1-one?
The IUPAC name of (2R)-3-imino-2-methyl-1-phenylpropan-1-one (CID 7157390) is (2R)-3-imino-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for (2R)-3-imino-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for (2R)-3-imino-2-methyl-1-phenylpropan-1-one is [H]/N=C/[C@@H](C)C(=O)c1ccccc1.
What is the InChIKey of (2R)-3-imino-2-methyl-1-phenylpropan-1-one?
The InChIKey is DZAYCCKBPPQWRG-XAPLUZPNSA-N. The full InChI is InChI=1S/C10H11NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-8,11H,1H3/b11-7+/t8-/m1/s1.
What are the key properties of (2R)-3-imino-2-methyl-1-phenylpropan-1-one?
(2R)-3-imino-2-methyl-1-phenylpropan-1-one has a molecular weight of 161.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-imino-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 7157390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).