2-methanidylprop-1-ene

C4H6-2 — CID 102023417

IUPAC2-methanidylprop-1-ene
SMILESC=C([CH2-])[CH2-]
InChIInChI=1S/C4H6/c1-4(2)3/h1-3H2/q-2
InChIKeyYDPTZXBECYVEAT-UHFFFAOYSA-N
MW54.09 g/mol
LogP1.21
Rot. Bonds

About 2-methanidylprop-1-ene

2-methanidylprop-1-ene (PubChem CID 102023417) has the molecular formula C4H6-2 and a molecular weight of 54.09 g/mol. Its IUPAC name is 2-methanidylprop-1-ene.

Molecular Properties

Compound Name2-methanidylprop-1-ene
PubChem CID102023417
Molecular FormulaC4H6-2
Molecular Weight54.09 g/mol
Exact Mass54.05
IUPAC Name2-methanidylprop-1-ene
SMILESC=C([CH2-])[CH2-]
InChIInChI=1S/C4H6/c1-4(2)3/h1-3H2/q-2
InChIKeyYDPTZXBECYVEAT-UHFFFAOYSA-N
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50054.09
LogP ≤ 51.21
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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Related Compounds

2-methanidylprop-1-ene;nickel
CID 173298029
2-chloroprop-1-ene;palladium
CID 174390508
CID 177462464
CID 177462464
magnesium;2-methanidylprop-2-en-1-ol;bromide
CID 11148029
magnesium;2-methanidylbut-1-ene;bromide
CID 10888403
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CID 91261810
3-chloro-2-methanidylprop-1-ene;ethanol;titanium
CID 174484856
2-methanidyl-5-methylhexa-1,5-diene
CID 58948056
magnesium;2-methanidylhexa-1,5-diene;chloride
CID 13072713
bis((1E)-3-methanidyl-1-methoxybuta-1,3-diene);yttrium
CID 135037431
magnesium;prop-1-en-2-ylcyclohexane;chloride
CID 78064177
azanide;N'-hydroxyethanimidamide;tetrakis(yttrium)
CID 58774840

Frequently Asked Questions

What is the IUPAC name of 2-methanidylprop-1-ene?
The IUPAC name of 2-methanidylprop-1-ene (CID 102023417) 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-])[CH2-].
What is the InChIKey of 2-methanidylprop-1-ene?
The InChIKey is YDPTZXBECYVEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6/c1-4(2)3/h1-3H2/q-2.
What are the key properties of 2-methanidylprop-1-ene?
2-methanidylprop-1-ene has a molecular weight of 54.09 g/mol, XLogP of 1.21, 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 102023417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).