(2S)-3-methylimino-2-phenylinden-1-one

C16H13NO — CID 124846160

IUPAC(2S)-3-methylimino-2-phenylinden-1-one
SMILESC/N=C1\c2ccccc2C(=O)[C@H]1c1ccccc1
InChIInChI=1S/C16H13NO/c1-17-15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-2-4-8-11/h2-10,14H,1H3/b17-15+/t14-/m0/s1
InChIKeyIGVZKEITBOSJAI-AQTLKONXSA-N
MW235.29 g/mol
LogP3.09
Rot. Bonds1

About (2S)-3-methylimino-2-phenylinden-1-one

(2S)-3-methylimino-2-phenylinden-1-one (PubChem CID 124846160) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (2S)-3-methylimino-2-phenylinden-1-one.

Molecular Properties

Compound Name(2S)-3-methylimino-2-phenylinden-1-one
PubChem CID124846160
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(2S)-3-methylimino-2-phenylinden-1-one
SMILESC/N=C1\c2ccccc2C(=O)[C@H]1c1ccccc1
InChIInChI=1S/C16H13NO/c1-17-15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-2-4-8-11/h2-10,14H,1H3/b17-15+/t14-/m0/s1
InChIKeyIGVZKEITBOSJAI-AQTLKONXSA-N
XLogP3.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylimino-2-phenylinden-1-one
CID 91824479
(1,4-dioxo-3-phenylnaphthalen-2-ylidene)carbamic acid
CID 175422084
(2S)-2-(4-methoxyphenyl)-3-phenyliminoinden-1-one
CID 124542757
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
2-(3-bromophenyl)-3-phenyliminoinden-1-one
CID 2848521
2-[4-(dimethylamino)phenyl]indene-1,3-dione
CID 622184
3-(4-bromophenyl)imino-2-(4-methoxyphenyl)inden-1-one
CID 2847560
(3S)-3-phenyl-1H-quinoline-2,4-dione
CID 51552290
2-[4-(benzenesulfonyl)phenyl]indene-1,3-dione
CID 154089135
5-fluoro-2-phenylindene-1,3-dione
CID 3043662
2-methyl-4-phenyl-1-benzothiepine-3,5-dione
CID 12510063
4-phenylpyrazole-3,5-dione
CID 57268798

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methylimino-2-phenylinden-1-one?
The IUPAC name of (2S)-3-methylimino-2-phenylinden-1-one (CID 124846160) is (2S)-3-methylimino-2-phenylinden-1-one.
What is the SMILES notation for (2S)-3-methylimino-2-phenylinden-1-one?
The canonical SMILES for (2S)-3-methylimino-2-phenylinden-1-one is C/N=C1\c2ccccc2C(=O)[C@H]1c1ccccc1.
What is the InChIKey of (2S)-3-methylimino-2-phenylinden-1-one?
The InChIKey is IGVZKEITBOSJAI-AQTLKONXSA-N. The full InChI is InChI=1S/C16H13NO/c1-17-15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-2-4-8-11/h2-10,14H,1H3/b17-15+/t14-/m0/s1.
What are the key properties of (2S)-3-methylimino-2-phenylinden-1-one?
(2S)-3-methylimino-2-phenylinden-1-one has a molecular weight of 235.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methylimino-2-phenylinden-1-one is sourced from PubChem (CID 124846160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).