tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate

C12H21NO3 — CID 139752016

IUPACtert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate
SMILESCOC=CC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-10-7-9(8-10)5-6-15-4/h5-6,9-10H,7-8H2,1-4H3,(H,13,14)
InChIKeyMENUDLFBOKBZJE-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate

tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate (PubChem CID 139752016) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate
PubChem CID139752016
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate
SMILESCOC=CC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-10-7-9(8-10)5-6-15-4/h5-6,9-10H,7-8H2,1-4H3,(H,13,14)
InChIKeyMENUDLFBOKBZJE-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-methylpent-4-en-1-yl)carbamate
CID 12181709
tert-butyl N-(4-methylpent-1-en-3-yl)carbamate
CID 13905154
Tert-butyl N-[(3S)-4-methylpent-1-EN-3-YL]carbamate
CID 13905155
Tert-butyl (2S)-hex-5-EN-2-ylcarbamate
CID 45091912
Tert-butyl (2-methylhex-5-en-3-yl)carbamate
CID 72969694
tert-butyl N-[(3S)-2-methylhex-5-en-3-yl]carbamate
CID 95898073
tert-butyl N-[(4R)-hept-1-en-4-yl]carbamate
CID 95898077
tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate
CID 135038744
tert-butyl N-[3-methyl-1-[(Z)-prop-1-enoxy]butyl]carbamate
CID 135054970
4-(Tert-butoxycarbonylamino)-1,6-heptadiene
CID 11052953
tert-butyl N-hex-1-en-3-ylcarbamate
CID 13294367
Ethyl (2-methylpent-4-en-1-yl)carbamate
CID 13837755

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate (CID 139752016) is tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate is COC=CC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate?
The InChIKey is MENUDLFBOKBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-10-7-9(8-10)5-6-15-4/h5-6,9-10H,7-8H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate?
tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methoxyethenyl)cyclobutyl]carbamate is sourced from PubChem (CID 139752016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).