2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine

C7H9N — CID 147666714

IUPAC2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine
SMILES[H]/N=C1\C(C)C1C1C=C1
InChIInChI=1S/C7H9N/c1-4-6(7(4)8)5-2-3-5/h2-6,8H,1H3/b8-7+
InChIKeyGMLFXNWSDSMZBO-BQYQJAHWSA-N
MW107.16 g/mol
LogP1.46
Rot. Bonds1

About 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine

2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine (PubChem CID 147666714) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine.

Molecular Properties

Compound Name2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine
PubChem CID147666714
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine
SMILES[H]/N=C1\C(C)C1C1C=C1
InChIInChI=1S/C7H9N/c1-4-6(7(4)8)5-2-3-5/h2-6,8H,1H3/b8-7+
InChIKeyGMLFXNWSDSMZBO-BQYQJAHWSA-N
XLogP1.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Ethenyl-1-fluorocyclopropyl)ethanimine
CID 142996690
4-Methylhept-6-en-3-imine
CID 123204332
4-Methylhept-6-en-2-imine
CID 123395995
4-Methylhex-5-en-2-imine
CID 124028370
3-Propylhex-5-en-2-imine
CID 142132618
2-Ethenyl-2-propan-2-ylcyclopropan-1-imine
CID 164120206
1-(2-Ethenylcyclopropyl)ethanimine
CID 142996662
1-[2-[(Z)-prop-1-enyl]cyclopropyl]ethanimine
CID 143263783

Frequently Asked Questions

What is the IUPAC name of 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine?
The IUPAC name of 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine (CID 147666714) is 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine.
What is the SMILES notation for 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine?
The canonical SMILES for 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine is [H]/N=C1\C(C)C1C1C=C1.
What is the InChIKey of 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine?
The InChIKey is GMLFXNWSDSMZBO-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H9N/c1-4-6(7(4)8)5-2-3-5/h2-6,8H,1H3/b8-7+.
What are the key properties of 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine?
2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine has a molecular weight of 107.16 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloprop-2-en-1-yl-3-methylcyclopropan-1-imine is sourced from PubChem (CID 147666714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).