(2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol

C11H17NO — CID 144616608

IUPAC(2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol
SMILESC=C/C(CO)=C1/CNCC/C1=C/C
InChIInChI=1S/C11H17NO/c1-3-9-5-6-12-7-11(9)10(4-2)8-13/h3-4,12-13H,2,5-8H2,1H3/b9-3-,11-10+
InChIKeyKWFDQVOWYPHYOT-NQBLEFRXSA-N
MW179.26 g/mol
LogP1.40
Rot. Bonds2

About (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol

(2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol (PubChem CID 144616608) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol.

Molecular Properties

Compound Name(2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol
PubChem CID144616608
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol
SMILESC=C/C(CO)=C1/CNCC/C1=C/C
InChIInChI=1S/C11H17NO/c1-3-9-5-6-12-7-11(9)10(4-2)8-13/h3-4,12-13H,2,5-8H2,1H3/b9-3-,11-10+
InChIKeyKWFDQVOWYPHYOT-NQBLEFRXSA-N
XLogP1.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 91242625
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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol?
The IUPAC name of (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol (CID 144616608) is (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol.
What is the SMILES notation for (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol?
The canonical SMILES for (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol is C=C/C(CO)=C1/CNCC/C1=C/C.
What is the InChIKey of (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol?
The InChIKey is KWFDQVOWYPHYOT-NQBLEFRXSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-5-6-12-7-11(9)10(4-2)8-13/h3-4,12-13H,2,5-8H2,1H3/b9-3-,11-10+.
What are the key properties of (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol?
(2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol is sourced from PubChem (CID 144616608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).