N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide

C5H9N3 — CID 176534291

IUPACN-[(Z)-3-methyliminoprop-1-enyl]methanimidamide
SMILES[H]/N=C/N/C=C\C=N\C
InChIInChI=1S/C5H9N3/c1-7-3-2-4-8-5-6/h2-5H,1H3,(H2,6,8)/b4-2-,7-3+
InChIKeyZQFGXMHBWRHQSC-UFSYDLLYSA-N
MW111.15 g/mol
LogP0.40
Rot. Bonds3

About N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide

N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide (PubChem CID 176534291) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-3-methyliminoprop-1-enyl]methanimidamide
PubChem CID176534291
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-[(Z)-3-methyliminoprop-1-enyl]methanimidamide
SMILES[H]/N=C/N/C=C\C=N\C
InChIInChI=1S/C5H9N3/c1-7-3-2-4-8-5-6/h2-5H,1H3,(H2,6,8)/b4-2-,7-3+
InChIKeyZQFGXMHBWRHQSC-UFSYDLLYSA-N
XLogP0.40
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(Z)-3-methyliminoprop-1-enyl]methanimidamide?
The IUPAC name of N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide (CID 176534291) is N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide.
What is the SMILES notation for N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide?
The canonical SMILES for N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide is [H]/N=C/N/C=C\C=N\C.
What is the InChIKey of N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide?
The InChIKey is ZQFGXMHBWRHQSC-UFSYDLLYSA-N. The full InChI is InChI=1S/C5H9N3/c1-7-3-2-4-8-5-6/h2-5H,1H3,(H2,6,8)/b4-2-,7-3+.
What are the key properties of N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide?
N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyliminoprop-1-enyl]methanimidamide is sourced from PubChem (CID 176534291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).