N-[2-(methylideneamino)prop-1-enyl]methanimine

C5H8N2 — CID 123695092

IUPACN-[2-(methylideneamino)prop-1-enyl]methanimine
SMILESC=NC=C(C)N=C
InChIInChI=1S/C5H8N2/c1-5(7-3)4-6-2/h4H,2-3H2,1H3
InChIKeyLBXCLRSVYRSRND-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.25
Rot. Bonds2

About N-[2-(methylideneamino)prop-1-enyl]methanimine

N-[2-(methylideneamino)prop-1-enyl]methanimine (PubChem CID 123695092) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N-[2-(methylideneamino)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[2-(methylideneamino)prop-1-enyl]methanimine
PubChem CID123695092
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN-[2-(methylideneamino)prop-1-enyl]methanimine
SMILESC=NC=C(C)N=C
InChIInChI=1S/C5H8N2/c1-5(7-3)4-6-2/h4H,2-3H2,1H3
InChIKeyLBXCLRSVYRSRND-UHFFFAOYSA-N
XLogP1.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylideneamino)prop-1-enyl]methanimine?
The IUPAC name of N-[2-(methylideneamino)prop-1-enyl]methanimine (CID 123695092) is N-[2-(methylideneamino)prop-1-enyl]methanimine.
What is the SMILES notation for N-[2-(methylideneamino)prop-1-enyl]methanimine?
The canonical SMILES for N-[2-(methylideneamino)prop-1-enyl]methanimine is C=NC=C(C)N=C.
What is the InChIKey of N-[2-(methylideneamino)prop-1-enyl]methanimine?
The InChIKey is LBXCLRSVYRSRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(7-3)4-6-2/h4H,2-3H2,1H3.
What are the key properties of N-[2-(methylideneamino)prop-1-enyl]methanimine?
N-[2-(methylideneamino)prop-1-enyl]methanimine has a molecular weight of 96.13 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylideneamino)prop-1-enyl]methanimine is sourced from PubChem (CID 123695092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).