1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate

C13H17NO3 — CID 113363691

IUPAC1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
SMILESCOCC(C)OC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H17NO3/c1-9(8-16-2)17-13(15)10-3-4-11-6-14-7-12(11)5-10/h3-5,9,14H,6-8H2,1-2H3
InChIKeyQJOGPKOQPAEXRJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.48
Rot. Bonds4

About 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate

1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate (PubChem CID 113363691) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
PubChem CID113363691
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
SMILESCOCC(C)OC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H17NO3/c1-9(8-16-2)17-13(15)10-3-4-11-6-14-7-12(11)5-10/h3-5,9,14H,6-8H2,1-2H3
InChIKeyQJOGPKOQPAEXRJ-UHFFFAOYSA-N
XLogP1.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

octan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999609
2-propan-2-yloxyethyl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999601
propan-2-yl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
CID 133062529
N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998510
1-methoxypropan-2-yl 4-tert-butylbenzoate
CID 90150933
1-methoxypropan-2-yl 3-iodobenzoate
CID 71145343
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
[(2R)-1-methoxypropan-2-yl] 3-cyanobenzoate
CID 95931923
1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 71915736
1-methoxypropan-2-yl 4-amino-3,5-dichlorobenzoate
CID 82830079
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
CID 116612892
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate (CID 113363691) is 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate is COCC(C)OC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate?
The InChIKey is QJOGPKOQPAEXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(8-16-2)17-13(15)10-3-4-11-6-14-7-12(11)5-10/h3-5,9,14H,6-8H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate?
1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate is sourced from PubChem (CID 113363691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).