(3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one

C14H15NO3 — CID 156582043

IUPAC(3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one
SMILESCn1cc(C[C@@H]2C[C@@H](O)C(=O)O2)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-8-9(11-4-2-3-5-12(11)15)6-10-7-13(16)14(17)18-10/h2-5,8,10,13,16H,6-7H2,1H3/t10-,13-/m1/s1
InChIKeyVACHEBPSPNIGGI-ZWNOBZJWSA-N
MW245.28 g/mol
LogP1.40
Rot. Bonds2

About (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one

(3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one (PubChem CID 156582043) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one
PubChem CID156582043
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one
SMILESCn1cc(C[C@@H]2C[C@@H](O)C(=O)O2)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-8-9(11-4-2-3-5-12(11)15)6-10-7-13(16)14(17)18-10/h2-5,8,10,13,16H,6-7H2,1H3/t10-,13-/m1/s1
InChIKeyVACHEBPSPNIGGI-ZWNOBZJWSA-N
XLogP1.40
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one?
The IUPAC name of (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one (CID 156582043) is (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one?
The canonical SMILES for (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one is Cn1cc(C[C@@H]2C[C@@H](O)C(=O)O2)c2ccccc21.
What is the InChIKey of (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one?
The InChIKey is VACHEBPSPNIGGI-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-8-9(11-4-2-3-5-12(11)15)6-10-7-13(16)14(17)18-10/h2-5,8,10,13,16H,6-7H2,1H3/t10-,13-/m1/s1.
What are the key properties of (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one?
(3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-hydroxy-5-[(1-methylindol-3-yl)methyl]oxolan-2-one is sourced from PubChem (CID 156582043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).