(4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione

C12H10N2O3 — CID 58281045

IUPAC(4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione
SMILESO=C1N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)O1
InChIInChI=1S/C12H10N2O3/c15-11-10(14-12(16)17-11)6-8-5-7-3-1-2-4-9(7)13-8/h1-5,10,13H,6H2,(H,14,16)/t10-/m0/s1
InChIKeyKFCQGZYEHBUDBF-JTQLQIEISA-N
MW230.22 g/mol
LogP1.35
Rot. Bonds2

About (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione

(4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione (PubChem CID 58281045) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione
PubChem CID58281045
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name(4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione
SMILESO=C1N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)O1
InChIInChI=1S/C12H10N2O3/c15-11-10(14-12(16)17-11)6-8-5-7-3-1-2-4-9(7)13-8/h1-5,10,13H,6H2,(H,14,16)/t10-/m0/s1
InChIKeyKFCQGZYEHBUDBF-JTQLQIEISA-N
XLogP1.35
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,6S)-3-(1H-imidazol-5-ylmethyl)-6-(1H-indol-2-ylmethyl)piperazine-2,5-dione
CID 102308600
(3R)-3-(1H-indol-2-ylmethyl)piperazine-2,6-dione
CID 177371446
methyl (2Z)-2-[(4S)-4-(1H-indol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-1,3-benzodiazepin-5-ylidene]acetate
CID 10959370
6-(1H-indol-2-ylmethyl)-3,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 163103698
2-(2-fluoroethyl)-1H-indole
CID 142633825
1H-indol-2-ylmethanesulfonamide
CID 54351083
phenyl-[(2R,3S,4S,5S)-4,5,6-tribenzoyl-3,4,5,6-tetrahydroxy-2-(1H-indol-2-ylmethyl)oxan-3-yl]methanone
CID 139632290
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
N-[2-(1H-indol-2-yl)ethylidene]hydroxylamine
CID 87248859
N-(1H-indol-2-ylmethyl)formamide
CID 54534530
4-(aminomethyl)-1,3-oxazolidine-2,5-dione
CID 89102587
1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
CID 173052004

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione (CID 58281045) is (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione is O=C1N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)O1.
What is the InChIKey of (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione?
The InChIKey is KFCQGZYEHBUDBF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-10(14-12(16)17-11)6-8-5-7-3-1-2-4-9(7)13-8/h1-5,10,13H,6H2,(H,14,16)/t10-/m0/s1.
What are the key properties of (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione?
(4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione has a molecular weight of 230.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1H-indol-2-ylmethyl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 58281045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).