tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate

C12H20N2O3 — CID 146121110

IUPACtert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate
SMILESC=CC(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H20N2O3/c1-6-10(15)14-7-9(8-14)13(5)11(16)17-12(2,3)4/h6,9H,1,7-8H2,2-5H3
InChIKeySOOJLUYNHFDYOF-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.25
Rot. Bonds2

About tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate

tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate (PubChem CID 146121110) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate
PubChem CID146121110
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate
SMILESC=CC(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H20N2O3/c1-6-10(15)14-7-9(8-14)13(5)11(16)17-12(2,3)4/h6,9H,1,7-8H2,2-5H3
InChIKeySOOJLUYNHFDYOF-UHFFFAOYSA-N
XLogP1.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 66566130
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-[1-(N,N'-dimethylcarbamimidoyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 75496357
tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate
CID 177018342
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
1-[3-[methyl(methylaminomethyl)amino]azetidin-1-yl]prop-2-en-1-one
CID 142387019
4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid
CID 146599300
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]prop-2-en-1-one;ethane
CID 172577621
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate (CID 146121110) is tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate is C=CC(=O)N1CC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate?
The InChIKey is SOOJLUYNHFDYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6-10(15)14-7-9(8-14)13(5)11(16)17-12(2,3)4/h6,9H,1,7-8H2,2-5H3.
What are the key properties of tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate?
tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate has a molecular weight of 240.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate is sourced from PubChem (CID 146121110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).