dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate

C16H21NO4 — CID 19980678

IUPACdipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate
SMILESCCCOC(=O)C1Nc2ccccc2C1C(=O)OCCC
InChIInChI=1S/C16H21NO4/c1-3-9-20-15(18)13-11-7-5-6-8-12(11)17-14(13)16(19)21-10-4-2/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyFTLSPISSFNREKQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.47
Rot. Bonds6

About dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate

dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate (PubChem CID 19980678) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate
PubChem CID19980678
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namedipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate
SMILESCCCOC(=O)C1Nc2ccccc2C1C(=O)OCCC
InChIInChI=1S/C16H21NO4/c1-3-9-20-15(18)13-11-7-5-6-8-12(11)17-14(13)16(19)21-10-4-2/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyFTLSPISSFNREKQ-UHFFFAOYSA-N
XLogP2.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate?
The IUPAC name of dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate (CID 19980678) is dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate.
What is the SMILES notation for dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate?
The canonical SMILES for dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate is CCCOC(=O)C1Nc2ccccc2C1C(=O)OCCC.
What is the InChIKey of dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate?
The InChIKey is FTLSPISSFNREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-9-20-15(18)13-11-7-5-6-8-12(11)17-14(13)16(19)21-10-4-2/h5-8,13-14,17H,3-4,9-10H2,1-2H3.
What are the key properties of dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate?
dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2,3-dihydro-1H-indole-2,3-dicarboxylate is sourced from PubChem (CID 19980678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).