tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate

C13H25NO4 — CID 143611566

IUPACtert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
SMILESC=C.CC(C)(C)OC(=O)NC1CC1.CCOC=O
InChIInChI=1S/C8H15NO2.C3H6O2.C2H4/c1-8(2,3)11-7(10)9-6-4-5-6;1-2-5-3-4;1-2/h6H,4-5H2,1-3H3,(H,9,10);3H,2H2,1H3;1-2H2
InChIKeyQELOSEUAHKPFIG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate

tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate (PubChem CID 143611566) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate.

Molecular Properties

Compound Nametert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
PubChem CID143611566
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
SMILESC=C.CC(C)(C)OC(=O)NC1CC1.CCOC=O
InChIInChI=1S/C8H15NO2.C3H6O2.C2H4/c1-8(2,3)11-7(10)9-6-4-5-6;1-2-5-3-4;1-2/h6H,4-5H2,1-3H3,(H,9,10);3H,2H2,1H3;1-2H2
InChIKeyQELOSEUAHKPFIG-UHFFFAOYSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate
CID 143394124
tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethene;ethyl formate
CID 143405049
tert-butyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate;ethane;ethene;ethyl formate
CID 143731882
tert-butyl N-(4-aminooxycyclohexyl)carbamate
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[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
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CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate
CID 163587025
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
CID 138714983
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
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tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate?
The IUPAC name of tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate (CID 143611566) is tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate.
What is the SMILES notation for tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate?
The canonical SMILES for tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate is C=C.CC(C)(C)OC(=O)NC1CC1.CCOC=O.
What is the InChIKey of tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate?
The InChIKey is QELOSEUAHKPFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C3H6O2.C2H4/c1-8(2,3)11-7(10)9-6-4-5-6;1-2-5-3-4;1-2/h6H,4-5H2,1-3H3,(H,9,10);3H,2H2,1H3;1-2H2.
What are the key properties of tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate?
tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate has a molecular weight of 259.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate is sourced from PubChem (CID 143611566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).