ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane

C15H30N2O3 — CID 144729711

IUPACethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane
SMILESC/C=C\C(=C/C)COC(=O)NCC(N)=O.CC.CCC
InChIInChI=1S/C10H16N2O3.C3H8.C2H6/c1-3-5-8(4-2)7-15-10(14)12-6-9(11)13;1-3-2;1-2/h3-5H,6-7H2,1-2H3,(H2,11,13)(H,12,14);3H2,1-2H3;1-2H3/b5-3-,8-4+;;
InChIKeyPUXAGGLHLYEWRP-LILUTQJSSA-N
MW286.42 g/mol
LogP3.16
Rot. Bonds5

About ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane

ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane (PubChem CID 144729711) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane.

Molecular Properties

Compound Nameethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane
PubChem CID144729711
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane
SMILESC/C=C\C(=C/C)COC(=O)NCC(N)=O.CC.CCC
InChIInChI=1S/C10H16N2O3.C3H8.C2H6/c1-3-5-8(4-2)7-15-10(14)12-6-9(11)13;1-3-2;1-2/h3-5H,6-7H2,1-2H3,(H2,11,13)(H,12,14);3H2,1-2H3;1-2H3/b5-3-,8-4+;;
InChIKeyPUXAGGLHLYEWRP-LILUTQJSSA-N
XLogP3.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane?
The IUPAC name of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane (CID 144729711) is ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane.
What is the SMILES notation for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane?
The canonical SMILES for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane is C/C=C\C(=C/C)COC(=O)NCC(N)=O.CC.CCC.
What is the InChIKey of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane?
The InChIKey is PUXAGGLHLYEWRP-LILUTQJSSA-N. The full InChI is InChI=1S/C10H16N2O3.C3H8.C2H6/c1-3-5-8(4-2)7-15-10(14)12-6-9(11)13;1-3-2;1-2/h3-5H,6-7H2,1-2H3,(H2,11,13)(H,12,14);3H2,1-2H3;1-2H3/b5-3-,8-4+;;.
What are the key properties of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane?
ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane has a molecular weight of 286.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] N-(2-amino-2-oxoethyl)carbamate;propane is sourced from PubChem (CID 144729711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).