2-imino-N'-[(Z)-prop-1-enyl]propanimidamide

C6H11N3 — CID 138737588

IUPAC2-imino-N'-[(Z)-prop-1-enyl]propanimidamide
SMILES[H]/N=C(C)/C(N)=N/C=C\C
InChIInChI=1S/C6H11N3/c1-3-4-9-6(8)5(2)7/h3-4,7H,1-2H3,(H2,8,9)/b4-3-,7-5+
InChIKeyVBGFCASUUHWLOV-QVXLNCAUSA-N
MW125.17 g/mol
LogP0.92
Rot. Bonds2

About 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide

2-imino-N'-[(Z)-prop-1-enyl]propanimidamide (PubChem CID 138737588) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide.

Molecular Properties

Compound Name2-imino-N'-[(Z)-prop-1-enyl]propanimidamide
PubChem CID138737588
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-imino-N'-[(Z)-prop-1-enyl]propanimidamide
SMILES[H]/N=C(C)/C(N)=N/C=C\C
InChIInChI=1S/C6H11N3/c1-3-4-9-6(8)5(2)7/h3-4,7H,1-2H3,(H2,8,9)/b4-3-,7-5+
InChIKeyVBGFCASUUHWLOV-QVXLNCAUSA-N
XLogP0.92
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.92
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 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide?
The IUPAC name of 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide (CID 138737588) is 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide.
What is the SMILES notation for 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide?
The canonical SMILES for 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide is [H]/N=C(C)/C(N)=N/C=C\C.
What is the InChIKey of 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide?
The InChIKey is VBGFCASUUHWLOV-QVXLNCAUSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-9-6(8)5(2)7/h3-4,7H,1-2H3,(H2,8,9)/b4-3-,7-5+.
What are the key properties of 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide?
2-imino-N'-[(Z)-prop-1-enyl]propanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N'-[(Z)-prop-1-enyl]propanimidamide is sourced from PubChem (CID 138737588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).