N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide

C5H9N3 — CID 122536879

IUPACN-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C/C)/C=N/[H]
InChIInChI=1S/C5H9N3/c1-2-3-8(4-6)5-7/h2-7H,1H3/b3-2+,6-4+,7-5+
InChIKeyCKYAEAPQFFRPQF-NYYLHBDNSA-N
MW111.15 g/mol
LogP1.04
Rot. Bonds3

About N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide

N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide (PubChem CID 122536879) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide
PubChem CID122536879
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C/C)/C=N/[H]
InChIInChI=1S/C5H9N3/c1-2-3-8(4-6)5-7/h2-7H,1H3/b3-2+,6-4+,7-5+
InChIKeyCKYAEAPQFFRPQF-NYYLHBDNSA-N
XLogP1.04
TPSA50.94 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 ≤ 51.04
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-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide?
The IUPAC name of N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide (CID 122536879) is N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide is [H]/N=C/N(/C=C/C)/C=N/[H].
What is the InChIKey of N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide?
The InChIKey is CKYAEAPQFFRPQF-NYYLHBDNSA-N. The full InChI is InChI=1S/C5H9N3/c1-2-3-8(4-6)5-7/h2-7H,1H3/b3-2+,6-4+,7-5+.
What are the key properties of N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide?
N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-N-[(E)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 122536879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).