amino N-prop-1-en-2-ylmethanimidate

C4H8N2O — CID 138459555

IUPACamino N-prop-1-en-2-ylmethanimidate
SMILESC=C(C)/N=C/ON
InChIInChI=1S/C4H8N2O/c1-4(2)6-3-7-5/h3H,1,5H2,2H3/b6-3+
InChIKeySOKXYQFSVMCKPW-ZZXKWVIFSA-N
MW100.12 g/mol
LogP0.44
Rot. Bonds2

About amino N-prop-1-en-2-ylmethanimidate

amino N-prop-1-en-2-ylmethanimidate (PubChem CID 138459555) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is amino N-prop-1-en-2-ylmethanimidate.

Molecular Properties

Compound Nameamino N-prop-1-en-2-ylmethanimidate
PubChem CID138459555
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Nameamino N-prop-1-en-2-ylmethanimidate
SMILESC=C(C)/N=C/ON
InChIInChI=1S/C4H8N2O/c1-4(2)6-3-7-5/h3H,1,5H2,2H3/b6-3+
InChIKeySOKXYQFSVMCKPW-ZZXKWVIFSA-N
XLogP0.44
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino N-prop-1-en-2-ylmethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N'-prop-1-en-2-ylmethanimidamide
CID 164916577
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
amino N-ethenylmethanimidate;ethane
CID 168885760
N-methoxy-N-methyl-N'-prop-1-en-2-ylmethanimidamide
CID 163422703
(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 89209949
N-methyl-N'-prop-1-en-2-yl-N-sulfanylmethanimidamide
CID 123818085
(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
CID 89384623
butane;N-prop-1-en-2-ylprop-2-en-1-imine
CID 144787234
O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine
CID 89191729
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459

Frequently Asked Questions

What is the IUPAC name of amino N-prop-1-en-2-ylmethanimidate?
The IUPAC name of amino N-prop-1-en-2-ylmethanimidate (CID 138459555) is amino N-prop-1-en-2-ylmethanimidate.
What is the SMILES notation for amino N-prop-1-en-2-ylmethanimidate?
The canonical SMILES for amino N-prop-1-en-2-ylmethanimidate is C=C(C)/N=C/ON.
What is the InChIKey of amino N-prop-1-en-2-ylmethanimidate?
The InChIKey is SOKXYQFSVMCKPW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H8N2O/c1-4(2)6-3-7-5/h3H,1,5H2,2H3/b6-3+.
What are the key properties of amino N-prop-1-en-2-ylmethanimidate?
amino N-prop-1-en-2-ylmethanimidate has a molecular weight of 100.12 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-prop-1-en-2-ylmethanimidate is sourced from PubChem (CID 138459555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).