N-methylidene-N'-prop-1-en-2-ylmethanimidamide

C5H8N2 — CID 123870894

IUPACN-methylidene-N'-prop-1-en-2-ylmethanimidamide
SMILESC=N/C=N/C(=C)C
InChIInChI=1S/C5H8N2/c1-5(2)7-4-6-3/h4H,1,3H2,2H3/b7-4+
InChIKeyDHILNYXWBXQGGB-QPJJXVBHSA-N
MW96.13 g/mol
LogP1.25
Rot. Bonds2

About N-methylidene-N'-prop-1-en-2-ylmethanimidamide

N-methylidene-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 123870894) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N-methylidene-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-prop-1-en-2-ylmethanimidamide
PubChem CID123870894
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN-methylidene-N'-prop-1-en-2-ylmethanimidamide
SMILESC=N/C=N/C(=C)C
InChIInChI=1S/C5H8N2/c1-5(2)7-4-6-3/h4H,1,3H2,2H3/b7-4+
InChIKeyDHILNYXWBXQGGB-QPJJXVBHSA-N
XLogP1.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.25
H-Bond Donors ≤ 50
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-methylidene-N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N-methylidene-N'-prop-1-en-2-ylmethanimidamide (CID 123870894) is N-methylidene-N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N-methylidene-N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N-methylidene-N'-prop-1-en-2-ylmethanimidamide is C=N/C=N/C(=C)C.
What is the InChIKey of N-methylidene-N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is DHILNYXWBXQGGB-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(2)7-4-6-3/h4H,1,3H2,2H3/b7-4+.
What are the key properties of N-methylidene-N'-prop-1-en-2-ylmethanimidamide?
N-methylidene-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 96.13 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 123870894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).