1-N-prop-2-enylpropane-1,2-diimine

C6H10N2 — CID 90958343

IUPAC1-N-prop-2-enylpropane-1,2-diimine
SMILES[H]/N=C(C)/C=N/CC=C
InChIInChI=1S/C6H10N2/c1-3-4-8-5-6(2)7/h3,5,7H,1,4H2,2H3/b7-6+,8-5+
InChIKeyJDLQGDNQOZJCPM-ZCOYIIAOSA-N
MW110.16 g/mol
LogP1.28
Rot. Bonds3

About 1-N-prop-2-enylpropane-1,2-diimine

1-N-prop-2-enylpropane-1,2-diimine (PubChem CID 90958343) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-N-prop-2-enylpropane-1,2-diimine.

Molecular Properties

Compound Name1-N-prop-2-enylpropane-1,2-diimine
PubChem CID90958343
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-N-prop-2-enylpropane-1,2-diimine
SMILES[H]/N=C(C)/C=N/CC=C
InChIInChI=1S/C6H10N2/c1-3-4-8-5-6(2)7/h3,5,7H,1,4H2,2H3/b7-6+,8-5+
InChIKeyJDLQGDNQOZJCPM-ZCOYIIAOSA-N
XLogP1.28
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-prop-2-enylpropane-1,2-diimine?
The IUPAC name of 1-N-prop-2-enylpropane-1,2-diimine (CID 90958343) is 1-N-prop-2-enylpropane-1,2-diimine.
What is the SMILES notation for 1-N-prop-2-enylpropane-1,2-diimine?
The canonical SMILES for 1-N-prop-2-enylpropane-1,2-diimine is [H]/N=C(C)/C=N/CC=C.
What is the InChIKey of 1-N-prop-2-enylpropane-1,2-diimine?
The InChIKey is JDLQGDNQOZJCPM-ZCOYIIAOSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-4-8-5-6(2)7/h3,5,7H,1,4H2,2H3/b7-6+,8-5+.
What are the key properties of 1-N-prop-2-enylpropane-1,2-diimine?
1-N-prop-2-enylpropane-1,2-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-prop-2-enylpropane-1,2-diimine is sourced from PubChem (CID 90958343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).