benzyl 5,6-dihydro-1H-indole-3-carboxylate

C16H15NO2 — CID 143927565

IUPACbenzyl 5,6-dihydro-1H-indole-3-carboxylate
SMILESO=C(OCc1ccccc1)c1c[nH]c2c1=CCCC=2
InChIInChI=1S/C16H15NO2/c18-16(19-11-12-6-2-1-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h1-3,6-10,17H,4-5,11H2
InChIKeyFDXRVEHKXBQOPF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.73
Rot. Bonds3

About benzyl 5,6-dihydro-1H-indole-3-carboxylate

benzyl 5,6-dihydro-1H-indole-3-carboxylate (PubChem CID 143927565) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is benzyl 5,6-dihydro-1H-indole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 5,6-dihydro-1H-indole-3-carboxylate
PubChem CID143927565
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namebenzyl 5,6-dihydro-1H-indole-3-carboxylate
SMILESO=C(OCc1ccccc1)c1c[nH]c2c1=CCCC=2
InChIInChI=1S/C16H15NO2/c18-16(19-11-12-6-2-1-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h1-3,6-10,17H,4-5,11H2
InChIKeyFDXRVEHKXBQOPF-UHFFFAOYSA-N
XLogP1.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848800
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
benzyl 2-fluoro-1H-pyrrole-3-carboxylate
CID 132545837
dibenzyl 1H-indole-3,5-dicarboxylate
CID 11617934
benzyl benzoate
CID 2345
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzyl 3-amino-2-methoxybenzoate;hydrochloride
CID 67245943
tribenzyl 5-aminobenzene-1,2,3-tricarboxylate
CID 166736546
benzyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
CID 3459191
benzyl methylphosphanylformate
CID 146418354
benzyl 6-bromo-4-chloropyridine-3-carboxylate
CID 155342380
benzyl 2H-phenanthro[9,10-c]pyrrole-3-carboxylate
CID 10641672

Frequently Asked Questions

What is the IUPAC name of benzyl 5,6-dihydro-1H-indole-3-carboxylate?
The IUPAC name of benzyl 5,6-dihydro-1H-indole-3-carboxylate (CID 143927565) is benzyl 5,6-dihydro-1H-indole-3-carboxylate.
What is the SMILES notation for benzyl 5,6-dihydro-1H-indole-3-carboxylate?
The canonical SMILES for benzyl 5,6-dihydro-1H-indole-3-carboxylate is O=C(OCc1ccccc1)c1c[nH]c2c1=CCCC=2.
What is the InChIKey of benzyl 5,6-dihydro-1H-indole-3-carboxylate?
The InChIKey is FDXRVEHKXBQOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19-11-12-6-2-1-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h1-3,6-10,17H,4-5,11H2.
What are the key properties of benzyl 5,6-dihydro-1H-indole-3-carboxylate?
benzyl 5,6-dihydro-1H-indole-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5,6-dihydro-1H-indole-3-carboxylate is sourced from PubChem (CID 143927565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).