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

C18H23FN2O3 — CID 171828857

IUPACtert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN1C(=O)C2(CC2)c2cc(F)ccc21
InChIInChI=1S/C18H23FN2O3/c1-17(2,3)24-16(23)20-9-4-10-21-14-6-5-12(19)11-13(14)18(7-8-18)15(21)22/h5-6,11H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyVEZPQEWSFLCRCW-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.12
Rot. Bonds4

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

tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate (PubChem CID 171828857) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate
PubChem CID171828857
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Nametert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN1C(=O)C2(CC2)c2cc(F)ccc21
InChIInChI=1S/C18H23FN2O3/c1-17(2,3)24-16(23)20-9-4-10-21-14-6-5-12(19)11-13(14)18(7-8-18)15(21)22/h5-6,11H,4,7-10H2,1-3H3,(H,20,23)
InChIKeyVEZPQEWSFLCRCW-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]propyl]carbamate
CID 71127764
tert-butyl N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)carbamate
CID 178070380
tert-butyl N-[3-[(2,4-difluorophenyl)methylamino]propyl]carbamate
CID 78942148
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
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tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
tert-butyl N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]carbamate
CID 141299270
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 70345928
6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138110145
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[3-[4-(3,4,5-trifluorophenyl)piperidin-1-yl]propyl]carbamate
CID 22729485
tert-butyl N-[2-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]-4-fluorophenyl]carbamate
CID 56571759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate (CID 171828857) is tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCN1C(=O)C2(CC2)c2cc(F)ccc21.
What is the InChIKey of tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate?
The InChIKey is VEZPQEWSFLCRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-17(2,3)24-16(23)20-9-4-10-21-14-6-5-12(19)11-13(14)18(7-8-18)15(21)22/h5-6,11H,4,7-10H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate?
tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate has a molecular weight of 334.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)propyl]carbamate is sourced from PubChem (CID 171828857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).