tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate

C22H26N2O3 — CID 166005302

IUPACtert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
SMILESC=C(C)c1cnc2c(c1OCc1ccccc1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C22H26N2O3/c1-15(2)18-13-23-20-17(11-12-24(20)21(25)27-22(3,4)5)19(18)26-14-16-9-7-6-8-10-16/h6-10,13H,1,11-12,14H2,2-5H3
InChIKeySKQLOHPSYQZROY-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.99
Rot. Bonds4

About tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate

tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 166005302) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
PubChem CID166005302
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nametert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
SMILESC=C(C)c1cnc2c(c1OCc1ccccc1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C22H26N2O3/c1-15(2)18-13-23-20-17(11-12-24(20)21(25)27-22(3,4)5)19(18)26-14-16-9-7-6-8-10-16/h6-10,13H,1,11-12,14H2,2-5H3
InChIKeySKQLOHPSYQZROY-UHFFFAOYSA-N
XLogP4.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate with MolForge

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Related Compounds

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CID 170555150
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CID 58020909
tert-butyl (1R)-5-(3-fluoro-4-phenylmethoxy-5-prop-1-en-2-ylphenyl)-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 163242272
tert-butyl 4-[(2-methylpropan-2-yl)oxy]-5-oxo-3-phenylmethoxy-2H-pyrrole-1-carboxylate
CID 15780234
tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate
CID 174495508
tert-butyl 4-(benzylamino)-2-chloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
CID 118239452
tert-butyl 5-[2-oxo-2-(phenylmethoxyamino)ethyl]-2,3-dihydroindole-1-carboxylate
CID 89464407
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 5-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;propane
CID 145043081
7-[(2-methylpropan-2-yl)oxycarbonyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carboxylic acid
CID 167741125
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 3-(4-phenylmethoxybenzoyl)azetidine-1-carboxylate
CID 71014923

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate (CID 166005302) is tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate is C=C(C)c1cnc2c(c1OCc1ccccc1)CCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate?
The InChIKey is SKQLOHPSYQZROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)18-13-23-20-17(11-12-24(20)21(25)27-22(3,4)5)19(18)26-14-16-9-7-6-8-10-16/h6-10,13H,1,11-12,14H2,2-5H3.
What are the key properties of tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate?
tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-phenylmethoxy-5-prop-1-en-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 166005302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).