1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid

C15H18N2O4 — CID 63361686

IUPAC1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)NC1CCCOC1
InChIInChI=1S/C15H18N2O4/c18-14(19)11-3-4-13-10(8-11)5-6-17(13)15(20)16-12-2-1-7-21-9-12/h3-4,8,12H,1-2,5-7,9H2,(H,16,20)(H,18,19)
InChIKeyBXOPMOCVHUGIMJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.64
Rot. Bonds2

About 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid

1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 63361686) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID63361686
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)NC1CCCOC1
InChIInChI=1S/C15H18N2O4/c18-14(19)11-3-4-13-10(8-11)5-6-17(13)15(20)16-12-2-1-7-21-9-12/h3-4,8,12H,1-2,5-7,9H2,(H,16,20)(H,18,19)
InChIKeyBXOPMOCVHUGIMJ-UHFFFAOYSA-N
XLogP1.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid (CID 63361686) is 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)NC1CCCOC1.
What is the InChIKey of 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is BXOPMOCVHUGIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(19)11-3-4-13-10(8-11)5-6-17(13)15(20)16-12-2-1-7-21-9-12/h3-4,8,12H,1-2,5-7,9H2,(H,16,20)(H,18,19).
What are the key properties of 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid?
1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 63361686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).