N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene

C13H31N — CID 142057672

IUPACN-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene
SMILESC=C.C=N/C(C)=C\C.CC.CC.CC
InChIInChI=1S/C5H9N.3C2H6.C2H4/c1-4-5(2)6-3;4*1-2/h4H,3H2,1-2H3;3*1-2H3;1-2H2/b5-4-;;;;
InChIKeyBCNMBEFFBPSTFW-HCLDKOLZSA-N
MW201.40 g/mol
LogP5.49
Rot. Bonds1

About N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene

N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene (PubChem CID 142057672) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene
PubChem CID142057672
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC NameN-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene
SMILESC=C.C=N/C(C)=C\C.CC.CC.CC
InChIInChI=1S/C5H9N.3C2H6.C2H4/c1-4-5(2)6-3;4*1-2/h4H,3H2,1-2H3;3*1-2H3;1-2H2/b5-4-;;;;
InChIKeyBCNMBEFFBPSTFW-HCLDKOLZSA-N
XLogP5.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500201.40
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene?
The IUPAC name of N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene (CID 142057672) is N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene is C=C.C=N/C(C)=C\C.CC.CC.CC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene?
The InChIKey is BCNMBEFFBPSTFW-HCLDKOLZSA-N. The full InChI is InChI=1S/C5H9N.3C2H6.C2H4/c1-4-5(2)6-3;4*1-2/h4H,3H2,1-2H3;3*1-2H3;1-2H2/b5-4-;;;;.
What are the key properties of N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene?
N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene has a molecular weight of 201.40 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]methanimine;ethane;ethene is sourced from PubChem (CID 142057672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).