N-but-2-en-2-ylmethanimine

C5H9N — CID 20732295

IUPACN-but-2-en-2-ylmethanimine
SMILESC=NC(C)=CC
InChIInChI=1S/C5H9N/c1-4-5(2)6-3/h4H,3H2,1-2H3
InChIKeyGEZZPJHXRXHJEK-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.61
Rot. Bonds1

About N-but-2-en-2-ylmethanimine

N-but-2-en-2-ylmethanimine (PubChem CID 20732295) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-but-2-en-2-ylmethanimine.

Molecular Properties

Compound NameN-but-2-en-2-ylmethanimine
PubChem CID20732295
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-but-2-en-2-ylmethanimine
SMILESC=NC(C)=CC
InChIInChI=1S/C5H9N/c1-4-5(2)6-3/h4H,3H2,1-2H3
InChIKeyGEZZPJHXRXHJEK-UHFFFAOYSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-fluorobut-2-en-2-yl]methanimine
CID 129299402
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760953
N-[(E)-but-2-en-2-yl]ethanimine
CID 18719779
N-prop-1-en-2-ylmethanimine
CID 19734183
N-but-2-en-2-ylethanimine
CID 20749343
N-pent-2-en-2-ylmethanimine
CID 57118992
N-but-1-en-2-ylmethanimine
CID 60089853
N-penta-1,3-dien-2-ylmethanimine
CID 86063273
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimine
CID 88986031
N-penta-2,4-dien-2-ylmethanimine
CID 91009510

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-ylmethanimine?
The IUPAC name of N-but-2-en-2-ylmethanimine (CID 20732295) is N-but-2-en-2-ylmethanimine.
What is the SMILES notation for N-but-2-en-2-ylmethanimine?
The canonical SMILES for N-but-2-en-2-ylmethanimine is C=NC(C)=CC.
What is the InChIKey of N-but-2-en-2-ylmethanimine?
The InChIKey is GEZZPJHXRXHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-4-5(2)6-3/h4H,3H2,1-2H3.
What are the key properties of N-but-2-en-2-ylmethanimine?
N-but-2-en-2-ylmethanimine has a molecular weight of 83.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-ylmethanimine is sourced from PubChem (CID 20732295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).