(3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one

C25H23NO2 — CID 139116832

IUPAC(3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one
SMILESC=C[C@H](OCc1ccccc1)[C@@]1(c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H23NO2/c1-3-23(28-18-19-12-6-4-7-13-19)25(20-14-8-5-9-15-20)21-16-10-11-17-22(21)26(2)24(25)27/h3-17,23H,1,18H2,2H3/t23-,25-/m0/s1
InChIKeyCOHJETBJOMEVGJ-ZCYQVOJMSA-N
MW369.46 g/mol
LogP4.72
Rot. Bonds6

About (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one

(3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one (PubChem CID 139116832) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one
PubChem CID139116832
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name(3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one
SMILESC=C[C@H](OCc1ccccc1)[C@@]1(c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H23NO2/c1-3-23(28-18-19-12-6-4-7-13-19)25(20-14-8-5-9-15-20)21-16-10-11-17-22(21)26(2)24(25)27/h3-17,23H,1,18H2,2H3/t23-,25-/m0/s1
InChIKeyCOHJETBJOMEVGJ-ZCYQVOJMSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one
CID 157328720
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
benzyl (2'S,3S,3'S,4'S)-1,4'-dimethyl-2-oxo-2'-propylspiro[indole-3,5'-pyrrolidine]-3'-carboxylate
CID 138967212
1-O-benzyl 3-O-ethyl (4R)-4-[(3S)-1,3-dimethyl-2-oxoindol-3-yl]-4H-pyridine-1,3-dicarboxylate
CID 177449211
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
1-chloroprop-2-enoxymethylbenzene
CID 175273540

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one?
The IUPAC name of (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one (CID 139116832) is (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one.
What is the SMILES notation for (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one?
The canonical SMILES for (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one is C=C[C@H](OCc1ccccc1)[C@@]1(c2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one?
The InChIKey is COHJETBJOMEVGJ-ZCYQVOJMSA-N. The full InChI is InChI=1S/C25H23NO2/c1-3-23(28-18-19-12-6-4-7-13-19)25(20-14-8-5-9-15-20)21-16-10-11-17-22(21)26(2)24(25)27/h3-17,23H,1,18H2,2H3/t23-,25-/m0/s1.
What are the key properties of (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one?
(3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one has a molecular weight of 369.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-phenyl-3-[(1S)-1-phenylmethoxyprop-2-enyl]indol-2-one is sourced from PubChem (CID 139116832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).