2-iminoethyl(prop-2-enyl)azanide

C5H8N2-2 — CID 140780312

IUPAC2-iminoethyl(prop-2-enyl)azanide
SMILES[H]/[C-]=C/C[N-]C/C=N/[H]
InChIInChI=1S/C5H8N2/c1-2-4-7-5-3-6/h1-3,6H,4-5H2/q-2/b6-3+
InChIKeyKBJPFQDVYOOUOC-ZZXKWVIFSA-N
MW96.13 g/mol
LogP1.00
Rot. Bonds4

About 2-iminoethyl(prop-2-enyl)azanide

2-iminoethyl(prop-2-enyl)azanide (PubChem CID 140780312) has the molecular formula C5H8N2-2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-iminoethyl(prop-2-enyl)azanide.

Molecular Properties

Compound Name2-iminoethyl(prop-2-enyl)azanide
PubChem CID140780312
Molecular FormulaC5H8N2-2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-iminoethyl(prop-2-enyl)azanide
SMILES[H]/[C-]=C/C[N-]C/C=N/[H]
InChIInChI=1S/C5H8N2/c1-2-4-7-5-3-6/h1-3,6H,4-5H2/q-2/b6-3+
InChIKeyKBJPFQDVYOOUOC-ZZXKWVIFSA-N
XLogP1.00
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine
CID 89000223
N-(2-iminoethyl)prop-2-en-1-amine
CID 123595436
2-Prop-2-enyliminoethylazanide
CID 140780373
2-Prop-2-enyliminoethanamine
CID 140780374
(Z)-4-imino-N,N-dimethylbut-2-en-1-amine
CID 163858390
N-(2-iminoethyl)-N-methylprop-2-en-1-amine
CID 144437519

Frequently Asked Questions

What is the IUPAC name of 2-iminoethyl(prop-2-enyl)azanide?
The IUPAC name of 2-iminoethyl(prop-2-enyl)azanide (CID 140780312) is 2-iminoethyl(prop-2-enyl)azanide.
What is the SMILES notation for 2-iminoethyl(prop-2-enyl)azanide?
The canonical SMILES for 2-iminoethyl(prop-2-enyl)azanide is [H]/[C-]=C/C[N-]C/C=N/[H].
What is the InChIKey of 2-iminoethyl(prop-2-enyl)azanide?
The InChIKey is KBJPFQDVYOOUOC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h1-3,6H,4-5H2/q-2/b6-3+.
What are the key properties of 2-iminoethyl(prop-2-enyl)azanide?
2-iminoethyl(prop-2-enyl)azanide has a molecular weight of 96.13 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminoethyl(prop-2-enyl)azanide is sourced from PubChem (CID 140780312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).