tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate

C12H21NO3 — CID 163950000

IUPACtert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
SMILESC=C(C)OC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-8(2)15-10-6-9(7-10)13-11(14)16-12(3,4)5/h9-10H,1,6-7H2,2-5H3,(H,13,14)
InChIKeyRYMHZMYOYGYCPH-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate

tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate (PubChem CID 163950000) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
PubChem CID163950000
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
SMILESC=C(C)OC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO3/c1-8(2)15-10-6-9(7-10)13-11(14)16-12(3,4)5/h9-10H,1,6-7H2,2-5H3,(H,13,14)
InChIKeyRYMHZMYOYGYCPH-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-sulfanylcyclobutyl)carbamate
CID 134473449
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate
CID 165467173
tert-butyl N-(3-sulfinooxycyclobutyl)carbamate
CID 146249113
[(1S,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohept-3-en-1-yl] acetate
CID 11369222
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-[3-(3-hydroxypropoxy)cyclobutyl]carbamate
CID 146599452
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate
CID 163587025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate (CID 163950000) is tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate is C=C(C)OC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate?
The InChIKey is RYMHZMYOYGYCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(2)15-10-6-9(7-10)13-11(14)16-12(3,4)5/h9-10H,1,6-7H2,2-5H3,(H,13,14).
What are the key properties of tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate?
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.59, 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-prop-1-en-2-yloxycyclobutyl)carbamate is sourced from PubChem (CID 163950000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).