(2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide

C10H16N2O — CID 131997142

IUPAC(2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide
SMILESC=C(C)/C=C(\N=C(C)C)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h6H,1H2,2-5H3,(H,11,13)/b9-6-
InChIKeyQULAHZNXJRKPFM-TWGQIWQCSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds3

About (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide

(2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide (PubChem CID 131997142) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide
PubChem CID131997142
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide
SMILESC=C(C)/C=C(\N=C(C)C)C(=O)NC
InChIInChI=1S/C10H16N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h6H,1H2,2-5H3,(H,11,13)/b9-6-
InChIKeyQULAHZNXJRKPFM-TWGQIWQCSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide?
The IUPAC name of (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide (CID 131997142) is (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide?
The canonical SMILES for (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide is C=C(C)/C=C(\N=C(C)C)C(=O)NC.
What is the InChIKey of (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide?
The InChIKey is QULAHZNXJRKPFM-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h6H,1H2,2-5H3,(H,11,13)/b9-6-.
What are the key properties of (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide?
(2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide has a molecular weight of 180.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,4-dimethyl-2-(propan-2-ylideneamino)penta-2,4-dienamide is sourced from PubChem (CID 131997142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).