acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate

C15H25NO4 — CID 143394124

IUPACacetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate
SMILESC#C.C#C.CC(C)(C)OC(=O)NC1CC1.CCOC=O
InChIInChI=1S/C8H15NO2.C3H6O2.2C2H2/c1-8(2,3)11-7(10)9-6-4-5-6;1-2-5-3-4;2*1-2/h6H,4-5H2,1-3H3,(H,9,10);3H,2H2,1H3;2*1-2H
InChIKeyPPHRMFGDEAUPAJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.35
Rot. Bonds3

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

acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate (PubChem CID 143394124) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate.

Molecular Properties

Compound Nameacetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate
PubChem CID143394124
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nameacetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate
SMILESC#C.C#C.CC(C)(C)OC(=O)NC1CC1.CCOC=O
InChIInChI=1S/C8H15NO2.C3H6O2.2C2H2/c1-8(2,3)11-7(10)9-6-4-5-6;1-2-5-3-4;2*1-2/h6H,4-5H2,1-3H3,(H,9,10);3H,2H2,1H3;2*1-2H
InChIKeyPPHRMFGDEAUPAJ-UHFFFAOYSA-N
XLogP2.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
CID 143611566
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
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-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939

Frequently Asked Questions

What is the IUPAC name of acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate?
The IUPAC name of acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate (CID 143394124) is acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate.
What is the SMILES notation for acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate?
The canonical SMILES for acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate is C#C.C#C.CC(C)(C)OC(=O)NC1CC1.CCOC=O.
What is the InChIKey of acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate?
The InChIKey is PPHRMFGDEAUPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C3H6O2.2C2H2/c1-8(2,3)11-7(10)9-6-4-5-6;1-2-5-3-4;2*1-2/h6H,4-5H2,1-3H3,(H,9,10);3H,2H2,1H3;2*1-2H.
What are the key properties of acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate?
acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate has a molecular weight of 283.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate is sourced from PubChem (CID 143394124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).