5-methylpiperidin-2-one;(E)-pent-1-en-1-ol

C11H21NO2 — CID 139899324

IUPAC5-methylpiperidin-2-one;(E)-pent-1-en-1-ol
SMILESCC1CCC(=O)NC1.CCC/C=C/O
InChIInChI=1S/C6H11NO.C5H10O/c1-5-2-3-6(8)7-4-5;1-2-3-4-5-6/h5H,2-4H2,1H3,(H,7,8);4-6H,2-3H2,1H3/b;5-4+
InChIKeyUZUMVOIMAQVXBR-RCKHEGBHSA-N
MW199.29 g/mol
LogP2.39
Rot. Bonds2

About 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol

5-methylpiperidin-2-one;(E)-pent-1-en-1-ol (PubChem CID 139899324) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol.

Molecular Properties

Compound Name5-methylpiperidin-2-one;(E)-pent-1-en-1-ol
PubChem CID139899324
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-methylpiperidin-2-one;(E)-pent-1-en-1-ol
SMILESCC1CCC(=O)NC1.CCC/C=C/O
InChIInChI=1S/C6H11NO.C5H10O/c1-5-2-3-6(8)7-4-5;1-2-3-4-5-6/h5H,2-4H2,1H3,(H,7,8);4-6H,2-3H2,1H3/b;5-4+
InChIKeyUZUMVOIMAQVXBR-RCKHEGBHSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-methylpiperidin-2-one
CID 10877083
3-methylpiperidin-2-one;5-methylpiperidin-2-one
CID 157332595
(5S)-5-(2-methylpropyl)piperidin-2-one
CID 172505692
(5S)-5-methylazepan-2-one
CID 51419001
CID 66603050
CID 66603050
methane;5-methylazepan-2-one
CID 158920172
[(E)-tridec-9-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316252
(5S)-5-hydroxypiperidin-2-one
CID 10964456
(5S)-5-(ethylamino)piperidin-2-one
CID 89165627
(4R,6R)-4,6-dimethylazepan-2-one
CID 12689794
5-(pentylamino)piperidin-2-one
CID 63662049
3-(6-oxopiperidin-3-yl)propanoic acid
CID 42609247

Frequently Asked Questions

What is the IUPAC name of 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol?
The IUPAC name of 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol (CID 139899324) is 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol.
What is the SMILES notation for 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol?
The canonical SMILES for 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol is CC1CCC(=O)NC1.CCC/C=C/O.
What is the InChIKey of 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol?
The InChIKey is UZUMVOIMAQVXBR-RCKHEGBHSA-N. The full InChI is InChI=1S/C6H11NO.C5H10O/c1-5-2-3-6(8)7-4-5;1-2-3-4-5-6/h5H,2-4H2,1H3,(H,7,8);4-6H,2-3H2,1H3/b;5-4+.
What are the key properties of 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol?
5-methylpiperidin-2-one;(E)-pent-1-en-1-ol has a molecular weight of 199.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpiperidin-2-one;(E)-pent-1-en-1-ol is sourced from PubChem (CID 139899324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).