tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate

C17H22ClNO2 — CID 122463522

IUPACtert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC12CCCc1cc(Cl)ccc12
InChIInChI=1S/C17H22ClNO2/c1-16(2,3)21-15(20)19-14-10-17(14)8-4-5-11-9-12(18)6-7-13(11)17/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,20)
InChIKeyXIQOUDACQOQXRX-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.21
Rot. Bonds1

About tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate

tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate (PubChem CID 122463522) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
PubChem CID122463522
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Nametert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC12CCCc1cc(Cl)ccc12
InChIInChI=1S/C17H22ClNO2/c1-16(2,3)21-15(20)19-14-10-17(14)8-4-5-11-9-12(18)6-7-13(11)17/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,20)
InChIKeyXIQOUDACQOQXRX-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate with MolForge

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Related Compounds

tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
CID 122463460
2'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-carboxylic acid
CID 122463510
tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
CID 54520306
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl (4R)-7-chlorospiro[2,3-dihydro-1H-naphthalene-4,3'-4,5-dihydro-2H-1-benzoxepine]-7'-carboxylate;sulfane
CID 163882030
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 122463512
2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057332
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157
methyl 6-chloro-1-cyano-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 139467780
methyl (1S,8S)-1-amino-8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylate
CID 102372502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate?
The IUPAC name of tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate (CID 122463522) is tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate is CC(C)(C)OC(=O)NC1CC12CCCc1cc(Cl)ccc12.
What is the InChIKey of tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate?
The InChIKey is XIQOUDACQOQXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-16(2,3)21-15(20)19-14-10-17(14)8-4-5-11-9-12(18)6-7-13(11)17/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate?
tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate has a molecular weight of 307.82 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate is sourced from PubChem (CID 122463522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).