2-methanidylprop-1-ene

C4H7- — CID 22924924

IUPAC2-methanidylprop-1-ene
SMILESC=C([CH2-])C
InChIInChI=1S/C4H7/c1-4(2)3/h1-2H2,3H3/q-1
InChIKeyQUOTUVTXOBHMHK-UHFFFAOYSA-N
MW55.10 g/mol
LogP1.40
Rot. Bonds

About 2-methanidylprop-1-ene

2-methanidylprop-1-ene (PubChem CID 22924924) has the molecular formula C4H7- and a molecular weight of 55.10 g/mol. Its IUPAC name is 2-methanidylprop-1-ene.

Molecular Properties

Compound Name2-methanidylprop-1-ene
PubChem CID22924924
Molecular FormulaC4H7-
Molecular Weight55.10 g/mol
Exact Mass55.06
IUPAC Name2-methanidylprop-1-ene
SMILESC=C([CH2-])C
InChIInChI=1S/C4H7/c1-4(2)3/h1-2H2,3H3/q-1
InChIKeyQUOTUVTXOBHMHK-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50055.10
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidylprop-1-ene?
The IUPAC name of 2-methanidylprop-1-ene (CID 22924924) is 2-methanidylprop-1-ene.
What is the SMILES notation for 2-methanidylprop-1-ene?
The canonical SMILES for 2-methanidylprop-1-ene is C=C([CH2-])C.
What is the InChIKey of 2-methanidylprop-1-ene?
The InChIKey is QUOTUVTXOBHMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7/c1-4(2)3/h1-2H2,3H3/q-1.
What are the key properties of 2-methanidylprop-1-ene?
2-methanidylprop-1-ene has a molecular weight of 55.10 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylprop-1-ene is sourced from PubChem (CID 22924924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).