tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate

C13H21NO3 — CID 165468411

IUPACtert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate
SMILESC=CC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H21NO3/c1-6-10(15)13(8-7-9-13)14(5)11(16)17-12(2,3)4/h6H,1,7-9H2,2-5H3
InChIKeyXKOGSDTVXNUREX-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate

tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate (PubChem CID 165468411) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate
PubChem CID165468411
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate
SMILESC=CC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H21NO3/c1-6-10(15)13(8-7-9-13)14(5)11(16)17-12(2,3)4/h6H,1,7-9H2,2-5H3
InChIKeyXKOGSDTVXNUREX-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.53
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-[1-(3-carbamoyl-3-methylpyrrolidine-1-carbonyl)cyclobutyl]-N-methylcarbamate
CID 126822426
tert-butyl N-methyl-N-(1-methyl-4-oxocyclohexyl)carbamate
CID 155896883
tert-butyl N-[1-(4-chlorophenyl)cyclobutyl]-N-methylcarbamate
CID 91308995
tert-butyl N-[1-(2-ethoxyacetyl)cyclopropyl]-N-methylcarbamate
CID 165471468
tert-butyl N-(1-cyano-4-ethenylcyclohexyl)-N-methylcarbamate
CID 91271474
(2S)-1-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 70071960
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 122508081
ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 67155525
tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
CID 171784493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate (CID 165468411) is tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate is C=CC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate?
The InChIKey is XKOGSDTVXNUREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-6-10(15)13(8-7-9-13)14(5)11(16)17-12(2,3)4/h6H,1,7-9H2,2-5H3.
What are the key properties of tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate?
tert-butyl N-methyl-N-(1-prop-2-enoylcyclobutyl)carbamate has a molecular weight of 239.31 g/mol, XLogP of 2.53, 3 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-enoylcyclobutyl)carbamate is sourced from PubChem (CID 165468411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).