2-methylidenecyclopropan-1-imine

C4H5N — CID 21299279

IUPAC2-methylidenecyclopropan-1-imine
SMILES[H]/N=C1\CC1=C
InChIInChI=1S/C4H5N/c1-3-2-4(3)5/h5H,1-2H2/b5-4+
InChIKeyMHCGWICIBWJDGA-SNAWJCMRSA-N
MW67.09 g/mol
LogP0.97
Rot. Bonds

About 2-methylidenecyclopropan-1-imine

2-methylidenecyclopropan-1-imine (PubChem CID 21299279) has the molecular formula C4H5N and a molecular weight of 67.09 g/mol. Its IUPAC name is 2-methylidenecyclopropan-1-imine.

Molecular Properties

Compound Name2-methylidenecyclopropan-1-imine
PubChem CID21299279
Molecular FormulaC4H5N
Molecular Weight67.09 g/mol
Exact Mass67.04
IUPAC Name2-methylidenecyclopropan-1-imine
SMILES[H]/N=C1\CC1=C
InChIInChI=1S/C4H5N/c1-3-2-4(3)5/h5H,1-2H2/b5-4+
InChIKeyMHCGWICIBWJDGA-SNAWJCMRSA-N
XLogP0.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.09
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylbut-3-en-2-imine
CID 20732293
CID 58318985
CID 58318985
3-Methylbut-3-en-2-imine
CID 91430163
(2Z)-2-ethylidenecyclopropan-1-imine
CID 147878196
2-Methyl-3-methylidenecyclopropan-1-imine
CID 164036861

Frequently Asked Questions

What is the IUPAC name of 2-methylidenecyclopropan-1-imine?
The IUPAC name of 2-methylidenecyclopropan-1-imine (CID 21299279) is 2-methylidenecyclopropan-1-imine.
What is the SMILES notation for 2-methylidenecyclopropan-1-imine?
The canonical SMILES for 2-methylidenecyclopropan-1-imine is [H]/N=C1\CC1=C.
What is the InChIKey of 2-methylidenecyclopropan-1-imine?
The InChIKey is MHCGWICIBWJDGA-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H5N/c1-3-2-4(3)5/h5H,1-2H2/b5-4+.
What are the key properties of 2-methylidenecyclopropan-1-imine?
2-methylidenecyclopropan-1-imine has a molecular weight of 67.09 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenecyclopropan-1-imine is sourced from PubChem (CID 21299279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).