tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate

C14H23NO3 — CID 165467173

IUPACtert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate
SMILESC=C(C)CC(=O)C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO3/c1-9(2)6-12(16)10-7-11(8-10)15-13(17)18-14(3,4)5/h10-11H,1,6-8H2,2-5H3,(H,15,17)
InChIKeyRAJMAWRJKPORNN-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.83
Rot. Bonds4

About tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate

tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate (PubChem CID 165467173) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate
PubChem CID165467173
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate
SMILESC=C(C)CC(=O)C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO3/c1-9(2)6-12(16)10-7-11(8-10)15-13(17)18-14(3,4)5/h10-11H,1,6-8H2,2-5H3,(H,15,17)
InChIKeyRAJMAWRJKPORNN-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
CID 163950000
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
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-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
CID 103949069
tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate
CID 169248545
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate (CID 165467173) is tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate is C=C(C)CC(=O)C1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate?
The InChIKey is RAJMAWRJKPORNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)6-12(16)10-7-11(8-10)15-13(17)18-14(3,4)5/h10-11H,1,6-8H2,2-5H3,(H,15,17).
What are the key properties of tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate?
tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.83, 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-(3-methylbut-3-enoyl)cyclobutyl]carbamate is sourced from PubChem (CID 165467173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).