N-pent-2-en-3-ylethanimine

C7H13N — CID 20761973

IUPACN-pent-2-en-3-ylethanimine
SMILESCC=C(CC)/N=C/C
InChIInChI=1S/C7H13N/c1-4-7(5-2)8-6-3/h4,6H,5H2,1-3H3/b7-4?,8-6+
InChIKeyRSJKNFXMCCUXGL-QXRCYAEXSA-N
MW111.19 g/mol
LogP2.39
Rot. Bonds2

About N-pent-2-en-3-ylethanimine

N-pent-2-en-3-ylethanimine (PubChem CID 20761973) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-pent-2-en-3-ylethanimine.

Molecular Properties

Compound NameN-pent-2-en-3-ylethanimine
PubChem CID20761973
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-pent-2-en-3-ylethanimine
SMILESCC=C(CC)/N=C/C
InChIInChI=1S/C7H13N/c1-4-7(5-2)8-6-3/h4,6H,5H2,1-3H3/b7-4?,8-6+
InChIKeyRSJKNFXMCCUXGL-QXRCYAEXSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-2-en-3-ylethanimine?
The IUPAC name of N-pent-2-en-3-ylethanimine (CID 20761973) is N-pent-2-en-3-ylethanimine.
What is the SMILES notation for N-pent-2-en-3-ylethanimine?
The canonical SMILES for N-pent-2-en-3-ylethanimine is CC=C(CC)/N=C/C.
What is the InChIKey of N-pent-2-en-3-ylethanimine?
The InChIKey is RSJKNFXMCCUXGL-QXRCYAEXSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(5-2)8-6-3/h4,6H,5H2,1-3H3/b7-4?,8-6+.
What are the key properties of N-pent-2-en-3-ylethanimine?
N-pent-2-en-3-ylethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-2-en-3-ylethanimine is sourced from PubChem (CID 20761973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).