1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone

C12H19NO — CID 170227748

IUPAC1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone
SMILESC/C=C1\C(=C(C)C)CCCN1C(C)=O
InChIInChI=1S/C12H19NO/c1-5-12-11(9(2)3)7-6-8-13(12)10(4)14/h5H,6-8H2,1-4H3/b12-5+
InChIKeyOYESCUDRNCYLRC-LFYBBSHMSA-N
MW193.29 g/mol
LogP2.87
Rot. Bonds

About 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone

1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone (PubChem CID 170227748) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone
PubChem CID170227748
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone
SMILESC/C=C1\C(=C(C)C)CCCN1C(C)=O
InChIInChI=1S/C12H19NO/c1-5-12-11(9(2)3)7-6-8-13(12)10(4)14/h5H,6-8H2,1-4H3/b12-5+
InChIKeyOYESCUDRNCYLRC-LFYBBSHMSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone (CID 170227748) is 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone is C/C=C1\C(=C(C)C)CCCN1C(C)=O.
What is the InChIKey of 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone?
The InChIKey is OYESCUDRNCYLRC-LFYBBSHMSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-12-11(9(2)3)7-6-8-13(12)10(4)14/h5H,6-8H2,1-4H3/b12-5+.
What are the key properties of 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone?
1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone has a molecular weight of 193.29 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethylidene-3-propan-2-ylidenepiperidin-1-yl]ethanone is sourced from PubChem (CID 170227748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).