1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate

C14H19NO3 — CID 103489060

IUPAC1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate
SMILESCCOCC(C)OC(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C14H19NO3/c1-3-17-9-10(2)18-14(16)12-5-4-11-6-7-15-13(11)8-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeySYZWBIOMDVYUDR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.24
Rot. Bonds5

About 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate

1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate (PubChem CID 103489060) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate
PubChem CID103489060
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate
SMILESCCOCC(C)OC(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C14H19NO3/c1-3-17-9-10(2)18-14(16)12-5-4-11-6-7-15-13(11)8-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeySYZWBIOMDVYUDR-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 103489104
1-ethoxypropan-2-yl 3-chlorobenzoate
CID 71145006
1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
CID 103489037
pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 102982650
prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
CID 66972289
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
CID 116611981
1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 113363691
cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate
CID 113382406
1-ethoxypropan-2-yl 4-methoxy-3-sulfamoylbenzoate
CID 103491207
1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
CID 103489205
2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
CID 116611963
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate (CID 103489060) is 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate is CCOCC(C)OC(=O)c1ccc2c(c1)NCC2.
What is the InChIKey of 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate?
The InChIKey is SYZWBIOMDVYUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-17-9-10(2)18-14(16)12-5-4-11-6-7-15-13(11)8-12/h4-5,8,10,15H,3,6-7,9H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate?
1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate is sourced from PubChem (CID 103489060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).