(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one

C24H21NO3 — CID 1255704

IUPAC(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
SMILESC=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C24H21NO3/c1-16(2)15-25-21-10-6-5-9-20(21)24(28,23(25)27)14-22(26)19-12-11-17-7-3-4-8-18(17)13-19/h3-13,28H,1,14-15H2,2H3/t24-/m0/s1
InChIKeyDHDBUGMDPBMDJT-DEOSSOPVSA-N
MW371.44 g/mol
LogP4.22
Rot. Bonds5

About (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one

(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one (PubChem CID 1255704) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
PubChem CID1255704
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
SMILESC=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C24H21NO3/c1-16(2)15-25-21-10-6-5-9-20(21)24(28,23(25)27)14-22(26)19-12-11-17-7-3-4-8-18(17)13-19/h3-13,28H,1,14-15H2,2H3/t24-/m0/s1
InChIKeyDHDBUGMDPBMDJT-DEOSSOPVSA-N
XLogP4.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255705
3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-methylprop-2-enyl)indol-2-one
CID 17078138
3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 45259080
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 27522911
3-hydroxy-1-(2-methylprop-2-enyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 3439472
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5127971
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 95244688
3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5221445
(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
CID 40823101
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one
CID 17078033
2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide
CID 2925295
2-[(3R)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetamide
CID 1075392

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The IUPAC name of (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one (CID 1255704) is (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one is C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The InChIKey is DHDBUGMDPBMDJT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO3/c1-16(2)15-25-21-10-6-5-9-20(21)24(28,23(25)27)14-22(26)19-12-11-17-7-3-4-8-18(17)13-19/h3-13,28H,1,14-15H2,2H3/t24-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one has a molecular weight of 371.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one is sourced from PubChem (CID 1255704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).