tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate

C18H21FN2O3 — CID 178070380

IUPACtert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2c(cc1F)N(C1CC1)C(=O)C21CC1
InChIInChI=1S/C18H21FN2O3/c1-17(2,3)24-16(23)20-13-8-11-14(9-12(13)19)21(10-4-5-10)15(22)18(11)6-7-18/h8-10H,4-7H2,1-3H3,(H,20,23)
InChIKeyVTBCXMBELIYXLW-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.71
Rot. Bonds2

About tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate

tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate (PubChem CID 178070380) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
PubChem CID178070380
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Nametert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2c(cc1F)N(C1CC1)C(=O)C21CC1
InChIInChI=1S/C18H21FN2O3/c1-17(2,3)24-16(23)20-13-8-11-14(9-12(13)19)21(10-4-5-10)15(22)18(11)6-7-18/h8-10H,4-7H2,1-3H3,(H,20,23)
InChIKeyVTBCXMBELIYXLW-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
CID 178070317
tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate
CID 171828857
tert-butyl N-(2,5-difluoro-4-formylphenyl)carbamate
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2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
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tert-butyl N-[5-fluoro-2-(1-methylcyclopropyl)oxy-4-pyridinyl]carbamate
CID 162439934
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[4-cyano-2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate?
The IUPAC name of tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate (CID 178070380) is tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate?
The canonical SMILES for tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate is CC(C)(C)OC(=O)Nc1cc2c(cc1F)N(C1CC1)C(=O)C21CC1.
What is the InChIKey of tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate?
The InChIKey is VTBCXMBELIYXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-17(2,3)24-16(23)20-13-8-11-14(9-12(13)19)21(10-4-5-10)15(22)18(11)6-7-18/h8-10H,4-7H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate?
tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate has a molecular weight of 332.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate is sourced from PubChem (CID 178070380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).