2-(methylideneamino)prop-2-enimidamide

C4H7N3 — CID 142901245

IUPAC2-(methylideneamino)prop-2-enimidamide
SMILES[H]/N=C(\N)C(=C)N=C
InChIInChI=1S/C4H7N3/c1-3(7-2)4(5)6/h1-2H2,(H3,5,6)
InChIKeyPHICHCMXUWYYLH-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.14
Rot. Bonds2

About 2-(methylideneamino)prop-2-enimidamide

2-(methylideneamino)prop-2-enimidamide (PubChem CID 142901245) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-(methylideneamino)prop-2-enimidamide.

Molecular Properties

Compound Name2-(methylideneamino)prop-2-enimidamide
PubChem CID142901245
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name2-(methylideneamino)prop-2-enimidamide
SMILES[H]/N=C(\N)C(=C)N=C
InChIInChI=1S/C4H7N3/c1-3(7-2)4(5)6/h1-2H2,(H3,5,6)
InChIKeyPHICHCMXUWYYLH-UHFFFAOYSA-N
XLogP0.14
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.14
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-(methylideneamino)prop-2-enimidamide?
The IUPAC name of 2-(methylideneamino)prop-2-enimidamide (CID 142901245) is 2-(methylideneamino)prop-2-enimidamide.
What is the SMILES notation for 2-(methylideneamino)prop-2-enimidamide?
The canonical SMILES for 2-(methylideneamino)prop-2-enimidamide is [H]/N=C(\N)C(=C)N=C.
What is the InChIKey of 2-(methylideneamino)prop-2-enimidamide?
The InChIKey is PHICHCMXUWYYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-3(7-2)4(5)6/h1-2H2,(H3,5,6).
What are the key properties of 2-(methylideneamino)prop-2-enimidamide?
2-(methylideneamino)prop-2-enimidamide has a molecular weight of 97.12 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)prop-2-enimidamide is sourced from PubChem (CID 142901245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).