3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one

C12H18N2O — CID 10965675

IUPAC3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one
SMILESO=C1NCCCC1/N=C/C1CC=CCC1
InChIInChI=1S/C12H18N2O/c15-12-11(7-4-8-13-12)14-9-10-5-2-1-3-6-10/h1-2,9-11H,3-8H2,(H,13,15)/b14-9+
InChIKeyZBBVDAUTICAOFP-NTEUORMPSA-N
MW206.29 g/mol
LogP1.69
Rot. Bonds2

About 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one

3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one (PubChem CID 10965675) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one
PubChem CID10965675
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one
SMILESO=C1NCCCC1/N=C/C1CC=CCC1
InChIInChI=1S/C12H18N2O/c15-12-11(7-4-8-13-12)14-9-10-5-2-1-3-6-10/h1-2,9-11H,3-8H2,(H,13,15)/b14-9+
InChIKeyZBBVDAUTICAOFP-NTEUORMPSA-N
XLogP1.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-2-[[(3S)-2-oxoazepan-3-yl]iminomethyl]cyclohexane-1,3-dione
CID 7431503
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide
CID 7809782
(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclopentan-1-one
CID 127260788
3-[(2-acetyl-3-hydroxybut-2-enylidene)amino]azepan-2-one
CID 135495008
4-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 7116054
1-(cyclopent-3-ene-1-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 156611995
diethyl 2-[[(3R)-2-oxoazepan-3-yl]iminomethyl]propanedioate
CID 7176994
5-chloro-4-[(2Z)-2-(cyclohex-3-en-1-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
CID 6249191
2,2-dimethyl-N'-(2-oxopiperidin-3-yl)propanimidamide
CID 63177071
N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351479
3-cyclohex-2-en-1-ylazepan-2-one
CID 114620899
3-azidoazepan-2-one;molecular hydrogen
CID 167688750

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one (CID 10965675) is 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one is O=C1NCCCC1/N=C/C1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one?
The InChIKey is ZBBVDAUTICAOFP-NTEUORMPSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-11(7-4-8-13-12)14-9-10-5-2-1-3-6-10/h1-2,9-11H,3-8H2,(H,13,15)/b14-9+.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one?
3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylideneamino)piperidin-2-one is sourced from PubChem (CID 10965675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).