1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine

C9H14N2 — CID 118301530

IUPAC1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C(=C\C)C1CC1
InChIInChI=1S/C9H14N2/c1-3-9(8-4-5-8)11-6-7(2)10/h3,6,8,10H,4-5H2,1-2H3/b9-3-,10-7+,11-6+
InChIKeyVWVLZHLHZMVEON-AUNUXDLDSA-N
MW150.22 g/mol
LogP2.41
Rot. Bonds3

About 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine

1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine (PubChem CID 118301530) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine.

Molecular Properties

Compound Name1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine
PubChem CID118301530
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C(=C\C)C1CC1
InChIInChI=1S/C9H14N2/c1-3-9(8-4-5-8)11-6-7(2)10/h3,6,8,10H,4-5H2,1-2H3/b9-3-,10-7+,11-6+
InChIKeyVWVLZHLHZMVEON-AUNUXDLDSA-N
XLogP2.41
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine?
The IUPAC name of 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine (CID 118301530) is 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine.
What is the SMILES notation for 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine?
The canonical SMILES for 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine is [H]/N=C(C)/C=N/C(=C\C)C1CC1.
What is the InChIKey of 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine?
The InChIKey is VWVLZHLHZMVEON-AUNUXDLDSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-9(8-4-5-8)11-6-7(2)10/h3,6,8,10H,4-5H2,1-2H3/b9-3-,10-7+,11-6+.
What are the key properties of 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine?
1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-1-cyclopropylprop-1-enyl]propane-1,2-diimine is sourced from PubChem (CID 118301530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).