N-prop-2-enylidenemethanimidamide

C4H6N2 — CID 142833373

IUPACN-prop-2-enylidenemethanimidamide
SMILES[H]/N=C/N=C/C=C
InChIInChI=1S/C4H6N2/c1-2-3-6-4-5/h2-5H,1H2/b5-4+,6-3+
InChIKeyZJYYMBGNABBICA-UTTVJGTNSA-N
MW82.11 g/mol
LogP0.85
Rot. Bonds2

About N-prop-2-enylidenemethanimidamide

N-prop-2-enylidenemethanimidamide (PubChem CID 142833373) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is N-prop-2-enylidenemethanimidamide.

Molecular Properties

Compound NameN-prop-2-enylidenemethanimidamide
PubChem CID142833373
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC NameN-prop-2-enylidenemethanimidamide
SMILES[H]/N=C/N=C/C=C
InChIInChI=1S/C4H6N2/c1-2-3-6-4-5/h2-5H,1H2/b5-4+,6-3+
InChIKeyZJYYMBGNABBICA-UTTVJGTNSA-N
XLogP0.85
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylidenemethanimidamide?
The IUPAC name of N-prop-2-enylidenemethanimidamide (CID 142833373) is N-prop-2-enylidenemethanimidamide.
What is the SMILES notation for N-prop-2-enylidenemethanimidamide?
The canonical SMILES for N-prop-2-enylidenemethanimidamide is [H]/N=C/N=C/C=C.
What is the InChIKey of N-prop-2-enylidenemethanimidamide?
The InChIKey is ZJYYMBGNABBICA-UTTVJGTNSA-N. The full InChI is InChI=1S/C4H6N2/c1-2-3-6-4-5/h2-5H,1H2/b5-4+,6-3+.
What are the key properties of N-prop-2-enylidenemethanimidamide?
N-prop-2-enylidenemethanimidamide has a molecular weight of 82.11 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylidenemethanimidamide is sourced from PubChem (CID 142833373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).