tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate

C14H19NO3 — CID 10514762

IUPACtert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
SMILESCOc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-6,9H,7-8H2,1-4H3
InChIKeyJXRHJQZYRSELDB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.99
Rot. Bonds1

About tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate

tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate (PubChem CID 10514762) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
PubChem CID10514762
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
SMILESCOc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-6,9H,7-8H2,1-4H3
InChIKeyJXRHJQZYRSELDB-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
tert-butyl 5-[hydroxy(methoxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 142313343
tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate
CID 10383009
tert-butyl 5-(1-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 117444696
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]acetic acid
CID 167723595
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433
tert-butyl 5-(pentylamino)-2,3-dihydroindole-1-carboxylate
CID 107242303
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate (CID 10514762) is tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate is COc1ccc2c(c1)CCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate?
The InChIKey is JXRHJQZYRSELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-6,9H,7-8H2,1-4H3.
What are the key properties of tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 10514762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).