(Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine

C10H15N — CID 89095895

IUPAC(Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine
SMILESC=C=C/N=C/C(=C\C)C(C)C
InChIInChI=1S/C10H15N/c1-5-7-11-8-10(6-2)9(3)4/h6-9H,1H2,2-4H3/b10-6+,11-8+
InChIKeyQBSWOKJTBGWXEQ-NSJFVGFPSA-N
MW149.24 g/mol
LogP2.96
Rot. Bonds3

About (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine

(Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine (PubChem CID 89095895) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine
PubChem CID89095895
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine
SMILESC=C=C/N=C/C(=C\C)C(C)C
InChIInChI=1S/C10H15N/c1-5-7-11-8-10(6-2)9(3)4/h6-9H,1H2,2-4H3/b10-6+,11-8+
InChIKeyQBSWOKJTBGWXEQ-NSJFVGFPSA-N
XLogP2.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine?
The IUPAC name of (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine (CID 89095895) is (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine is C=C=C/N=C/C(=C\C)C(C)C.
What is the InChIKey of (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine?
The InChIKey is QBSWOKJTBGWXEQ-NSJFVGFPSA-N. The full InChI is InChI=1S/C10H15N/c1-5-7-11-8-10(6-2)9(3)4/h6-9H,1H2,2-4H3/b10-6+,11-8+.
What are the key properties of (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine?
(Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 89095895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).