(5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol

C12H19NO — CID 130414677

IUPAC(5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol
SMILESC=C1NC(O)CC(C)(C)/C1=C/C=C\C
InChIInChI=1S/C12H19NO/c1-5-6-7-10-9(2)13-11(14)8-12(10,3)4/h5-7,11,13-14H,2,8H2,1,3-4H3/b6-5-,10-7+
InChIKeyDVFMRAQFETWVCW-ZZWPSLBBSA-N
MW193.29 g/mol
LogP2.34
Rot. Bonds1

About (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol

(5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol (PubChem CID 130414677) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol.

Molecular Properties

Compound Name(5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol
PubChem CID130414677
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol
SMILESC=C1NC(O)CC(C)(C)/C1=C/C=C\C
InChIInChI=1S/C12H19NO/c1-5-6-7-10-9(2)13-11(14)8-12(10,3)4/h5-7,11,13-14H,2,8H2,1,3-4H3/b6-5-,10-7+
InChIKeyDVFMRAQFETWVCW-ZZWPSLBBSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol?
The IUPAC name of (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol (CID 130414677) is (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol.
What is the SMILES notation for (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol?
The canonical SMILES for (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol is C=C1NC(O)CC(C)(C)/C1=C/C=C\C.
What is the InChIKey of (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol?
The InChIKey is DVFMRAQFETWVCW-ZZWPSLBBSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-6-7-10-9(2)13-11(14)8-12(10,3)4/h5-7,11,13-14H,2,8H2,1,3-4H3/b6-5-,10-7+.
What are the key properties of (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol?
(5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-but-2-enylidene]-4,4-dimethyl-6-methylidenepiperidin-2-ol is sourced from PubChem (CID 130414677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).