[(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate

C10H19NO2 — CID 166590787

IUPAC[(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate
SMILESC/C(=N/OC(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)9(12)13-11-8(3)10(4,5)6/h7H,1-6H3/b11-8-
InChIKeyZRPMISABEZYBRN-FLIBITNWSA-N
MW185.27 g/mol
LogP2.61
Rot. Bonds2

About [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate

[(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate (PubChem CID 166590787) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate.

Molecular Properties

Compound Name[(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate
PubChem CID166590787
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate
SMILESC/C(=N/OC(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)9(12)13-11-8(3)10(4,5)6/h7H,1-6H3/b11-8-
InChIKeyZRPMISABEZYBRN-FLIBITNWSA-N
XLogP2.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate?
The IUPAC name of [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate (CID 166590787) is [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate.
What is the SMILES notation for [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate?
The canonical SMILES for [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate is C/C(=N/OC(=O)C(C)C)C(C)(C)C.
What is the InChIKey of [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate?
The InChIKey is ZRPMISABEZYBRN-FLIBITNWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)9(12)13-11-8(3)10(4,5)6/h7H,1-6H3/b11-8-.
What are the key properties of [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate?
[(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,3-dimethylbutan-2-ylideneamino] 2-methylpropanoate is sourced from PubChem (CID 166590787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).