(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide

C10H14N2 — CID 172587844

IUPAC(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide
SMILESC=C/C=C(C(\C#N)=N\C)/C(C)C
InChIInChI=1S/C10H14N2/c1-5-6-9(8(2)3)10(7-11)12-4/h5-6,8H,1H2,2-4H3/b9-6-,12-10+
InChIKeyTXUDHYBBUZIZRS-QTJHGLNVSA-N
MW162.24 g/mol
LogP2.35
Rot. Bonds3

About (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide

(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide (PubChem CID 172587844) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide.

Molecular Properties

Compound Name(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide
PubChem CID172587844
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide
SMILESC=C/C=C(C(\C#N)=N\C)/C(C)C
InChIInChI=1S/C10H14N2/c1-5-6-9(8(2)3)10(7-11)12-4/h5-6,8H,1H2,2-4H3/b9-6-,12-10+
InChIKeyTXUDHYBBUZIZRS-QTJHGLNVSA-N
XLogP2.35
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide?
The IUPAC name of (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide (CID 172587844) is (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide.
What is the SMILES notation for (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide?
The canonical SMILES for (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide is C=C/C=C(C(\C#N)=N\C)/C(C)C.
What is the InChIKey of (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide?
The InChIKey is TXUDHYBBUZIZRS-QTJHGLNVSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-6-9(8(2)3)10(7-11)12-4/h5-6,8H,1H2,2-4H3/b9-6-,12-10+.
What are the key properties of (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide?
(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide has a molecular weight of 162.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl cyanide is sourced from PubChem (CID 172587844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).