tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate

C14H18N2O3 — CID 177364546

IUPACtert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccc(N=O)cc2)C1
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-8-11(9-16)10-4-6-12(15-18)7-5-10/h4-7,11H,8-9H2,1-3H3
InChIKeyDIIYLOBORXGNTI-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.42
Rot. Bonds2

About tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate

tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate (PubChem CID 177364546) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate
PubChem CID177364546
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccc(N=O)cc2)C1
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-8-11(9-16)10-4-6-12(15-18)7-5-10/h4-7,11H,8-9H2,1-3H3
InChIKeyDIIYLOBORXGNTI-UHFFFAOYSA-N
XLogP3.42
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl 3-[4-(benzenesulfonyl)phenyl]azetidine-1-carboxylate
CID 162745981
tert-butyl 3-methylpiperidine-1-carboxylate;ethane;4-nitrosobenzoic acid
CID 153399076
tert-butyl (3S)-3-(4-isocyanatophenyl)pyrrolidine-1-carboxylate
CID 87320464
tert-butyl 3-[4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidine-1-carboxylate
CID 162745692
tert-butyl 3-[4-(1-methoxy-1-oxopropan-2-yl)phenyl]azetidine-1-carboxylate
CID 162625061
tert-butyl 3-[4-(1,1,2-trifluoropropan-2-yloxy)phenyl]azetidine-1-carboxylate
CID 175461867
tert-butyl (1S,5R)-6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 86334179
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 3-(3-bromo-4-chlorophenyl)azetidine-1-carboxylate
CID 172992187
tert-butyl 5-(4-isocyanatophenyl)azocane-1-carboxylate
CID 163955453
tert-butyl 3-(3-bromo-4-cyclopropylphenyl)azetidine-1-carboxylate
CID 172992190

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate (CID 177364546) is tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2ccc(N=O)cc2)C1.
What is the InChIKey of tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate?
The InChIKey is DIIYLOBORXGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-8-11(9-16)10-4-6-12(15-18)7-5-10/h4-7,11H,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate?
tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate is sourced from PubChem (CID 177364546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).