3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione

C18H19NO4 — CID 11426973

IUPAC3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
SMILESCC(C)CC1OC(=O)C(C(=O)Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C18H19NO4/c1-10(2)7-15-17(21)16(18(22)23-15)14(20)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9-10,15-16,19H,7-8H2,1-2H3
InChIKeyVNDPWYJRTIMKSP-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.44
Rot. Bonds5

About 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione

3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione (PubChem CID 11426973) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
PubChem CID11426973
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
SMILESCC(C)CC1OC(=O)C(C(=O)Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C18H19NO4/c1-10(2)7-15-17(21)16(18(22)23-15)14(20)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9-10,15-16,19H,7-8H2,1-2H3
InChIKeyVNDPWYJRTIMKSP-UHFFFAOYSA-N
XLogP2.44
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-[3-(1H-indol-3-yl)propanoyl]-2-(2-methylpropyl)-2H-furan-5-one
CID 69135100
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
3-[2-(1H-indol-3-yl)acetyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione
CID 91604763
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(ethylideneamino)-3-(1H-indol-3-yl)propanoic acid
CID 174322974
5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one
CID 23179270
CID 87710053
CID 87710053
2-ethyl-4-(1H-indol-3-yl)-3-oxobutanoic acid
CID 160676695
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
CID 87710054
(3S,6R,9S,12R,15S,18R,21S,24R)-3-(hydroxymethyl)-9,15,21-tris(1H-indol-3-ylmethyl)-6,12,18-trimethyl-24-(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 100961527

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione?
The IUPAC name of 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione (CID 11426973) is 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione?
The canonical SMILES for 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione is CC(C)CC1OC(=O)C(C(=O)Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione?
The InChIKey is VNDPWYJRTIMKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-10(2)7-15-17(21)16(18(22)23-15)14(20)8-11-9-19-13-6-4-3-5-12(11)13/h3-6,9-10,15-16,19H,7-8H2,1-2H3.
What are the key properties of 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione?
3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione has a molecular weight of 313.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione is sourced from PubChem (CID 11426973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).