(3Z)-3-pentylidenepiperidine-2,6-dione

C10H15NO2 — CID 123499320

IUPAC(3Z)-3-pentylidenepiperidine-2,6-dione
SMILESCCCC/C=C1/CCC(=O)NC1=O
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-8-6-7-9(12)11-10(8)13/h5H,2-4,6-7H2,1H3,(H,11,12,13)/b8-5-
InChIKeyXCRNVAJICUEHHH-YVMONPNESA-N
MW181.23 g/mol
LogP1.54
Rot. Bonds3

About (3Z)-3-pentylidenepiperidine-2,6-dione

(3Z)-3-pentylidenepiperidine-2,6-dione (PubChem CID 123499320) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (3Z)-3-pentylidenepiperidine-2,6-dione.

Molecular Properties

Compound Name(3Z)-3-pentylidenepiperidine-2,6-dione
PubChem CID123499320
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(3Z)-3-pentylidenepiperidine-2,6-dione
SMILESCCCC/C=C1/CCC(=O)NC1=O
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-8-6-7-9(12)11-10(8)13/h5H,2-4,6-7H2,1H3,(H,11,12,13)/b8-5-
InChIKeyXCRNVAJICUEHHH-YVMONPNESA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hexylideneazepane-2,7-dione
CID 151725018
3-heptylidenepyrrolidine-2,5-dione
CID 141176728
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876
1,2-di(pentylidene)cyclohexane
CID 11356709
3-pentylidenepiperazine-2,5-dione
CID 53405957
(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione
CID 87141360
(4Z)-4-nonylidenepyrazolidin-3-one
CID 88776444
pentan-1-amine;pyrrolidine-2,5-dione
CID 122669383
(5E)-2-[(dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride
CID 54605002
(2Z)-2-octylidenecyclopentan-1-one
CID 87161532
(2E)-2-octylidenecyclohexan-1-one
CID 6441359
(2Z)-2-heptylidenecyclopentan-1-one
CID 56924121

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-pentylidenepiperidine-2,6-dione?
The IUPAC name of (3Z)-3-pentylidenepiperidine-2,6-dione (CID 123499320) is (3Z)-3-pentylidenepiperidine-2,6-dione.
What is the SMILES notation for (3Z)-3-pentylidenepiperidine-2,6-dione?
The canonical SMILES for (3Z)-3-pentylidenepiperidine-2,6-dione is CCCC/C=C1/CCC(=O)NC1=O.
What is the InChIKey of (3Z)-3-pentylidenepiperidine-2,6-dione?
The InChIKey is XCRNVAJICUEHHH-YVMONPNESA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-5-8-6-7-9(12)11-10(8)13/h5H,2-4,6-7H2,1H3,(H,11,12,13)/b8-5-.
What are the key properties of (3Z)-3-pentylidenepiperidine-2,6-dione?
(3Z)-3-pentylidenepiperidine-2,6-dione has a molecular weight of 181.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-pentylidenepiperidine-2,6-dione is sourced from PubChem (CID 123499320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).