tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate

C24H34N2O3 — CID 90812051

IUPACtert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate
SMILESC=CC1=CC2C=C(OC3CC(C)N(C(=O)OC(C)(C)C)C3)C=CC2C=C1N(C)C
InChIInChI=1S/C24H34N2O3/c1-8-17-12-19-13-20(10-9-18(19)14-22(17)25(6)7)28-21-11-16(2)26(15-21)23(27)29-24(3,4)5/h8-10,12-14,16,18-19,21H,1,11,15H2,2-7H3
InChIKeyWIPRHYZNNDDEBX-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.66
Rot. Bonds4

About tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate

tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate (PubChem CID 90812051) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate
PubChem CID90812051
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Nametert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate
SMILESC=CC1=CC2C=C(OC3CC(C)N(C(=O)OC(C)(C)C)C3)C=CC2C=C1N(C)C
InChIInChI=1S/C24H34N2O3/c1-8-17-12-19-13-20(10-9-18(19)14-22(17)25(6)7)28-21-11-16(2)26(15-21)23(27)29-24(3,4)5/h8-10,12-14,16,18-19,21H,1,11,15H2,2-7H3
InChIKeyWIPRHYZNNDDEBX-UHFFFAOYSA-N
XLogP4.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-[[[(3Z,5Z)-4-methoxy-2-methylhepta-1,3,5-trien-3-yl]-[(4Z)-3-methylidene-6-(2-methylpyrrolidin-1-yl)hepta-1,4,6-trien-2-yl]amino]methyl]morpholine-4-carboxylate
CID 142541592
tert-butyl N-[1-[3-[2-(dimethylamino)propoxy]cyclohexa-1,3-dien-1-yl]ethenyl]-N-(2-methylpropyl)carbamate
CID 169112167
tert-butyl N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethenyl]-N-(2-methylpropyl)carbamate
CID 169113428

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate (CID 90812051) is tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate is C=CC1=CC2C=C(OC3CC(C)N(C(=O)OC(C)(C)C)C3)C=CC2C=C1N(C)C.
What is the InChIKey of tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate?
The InChIKey is WIPRHYZNNDDEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-8-17-12-19-13-20(10-9-18(19)14-22(17)25(6)7)28-21-11-16(2)26(15-21)23(27)29-24(3,4)5/h8-10,12-14,16,18-19,21H,1,11,15H2,2-7H3.
What are the key properties of tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate?
tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate has a molecular weight of 398.55 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(dimethylamino)-7-ethenyl-4a,8a-dihydronaphthalen-2-yl]oxy]-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 90812051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).