2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate

C14H25NO2 — CID 101464726

IUPAC2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate
SMILESCC(C)COC(=O)/C=C1\CCCCN1C(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)10-17-14(16)9-13-7-5-6-8-15(13)12(3)4/h9,11-12H,5-8,10H2,1-4H3/b13-9+
InChIKeySSEUQKAJGSMVFU-UKTHLTGXSA-N
MW239.36 g/mol
LogP2.96
Rot. Bonds4

About 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate

2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate (PubChem CID 101464726) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate.

Molecular Properties

Compound Name2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate
PubChem CID101464726
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate
SMILESCC(C)COC(=O)/C=C1\CCCCN1C(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)10-17-14(16)9-13-7-5-6-8-15(13)12(3)4/h9,11-12H,5-8,10H2,1-4H3/b13-9+
InChIKeySSEUQKAJGSMVFU-UKTHLTGXSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate?
The IUPAC name of 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate (CID 101464726) is 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate.
What is the SMILES notation for 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate?
The canonical SMILES for 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate is CC(C)COC(=O)/C=C1\CCCCN1C(C)C.
What is the InChIKey of 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate?
The InChIKey is SSEUQKAJGSMVFU-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)10-17-14(16)9-13-7-5-6-8-15(13)12(3)4/h9,11-12H,5-8,10H2,1-4H3/b13-9+.
What are the key properties of 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate?
2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate has a molecular weight of 239.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2E)-2-(1-propan-2-ylpiperidin-2-ylidene)acetate is sourced from PubChem (CID 101464726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).