1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione

C15H21NO3 — CID 162418723

IUPAC1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione
SMILESC=CC[C@]1(CN2C(=O)CCCC2=O)CCCCC1=O
InChIInChI=1S/C15H21NO3/c1-2-9-15(10-4-3-6-12(15)17)11-16-13(18)7-5-8-14(16)19/h2H,1,3-11H2/t15-/m1/s1
InChIKeyBUGOTAYICIPBRZ-OAHLLOKOSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds4

About 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione

1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione (PubChem CID 162418723) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione
PubChem CID162418723
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione
SMILESC=CC[C@]1(CN2C(=O)CCCC2=O)CCCCC1=O
InChIInChI=1S/C15H21NO3/c1-2-9-15(10-4-3-6-12(15)17)11-16-13(18)7-5-8-14(16)19/h2H,1,3-11H2/t15-/m1/s1
InChIKeyBUGOTAYICIPBRZ-OAHLLOKOSA-N
XLogP2.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
(2S)-2-benzyl-2-prop-2-enylcyclohexan-1-one
CID 11183780
2-fluoro-2-prop-2-enylcyclododecan-1-one
CID 14342872
[(1R)-2-oxo-1-prop-2-enylcyclopentyl]methylcarbamic acid
CID 155145151
2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one
CID 24749464
prop-2-enyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 12619400
2-prop-2-enyl-2-prop-2-ynylcyclohexane-1,3-dione
CID 101410291
1-[[1-(2-aminoethyl)cyclopropyl]methyl]azepane-2,7-dione
CID 65481929
2,2-bis[(dimethylamino)methyl]cyclohexan-1-one
CID 53411153
2-[(2-bromocyclopenten-1-yl)methyl]-2-prop-2-enylcyclohexane-1,3-dione
CID 10470685
2-[1-[(2,7-dioxoazepan-1-yl)methyl]cyclobutyl]acetic acid
CID 81164891
ethyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 11074660

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione?
The IUPAC name of 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione (CID 162418723) is 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione is C=CC[C@]1(CN2C(=O)CCCC2=O)CCCCC1=O.
What is the InChIKey of 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione?
The InChIKey is BUGOTAYICIPBRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-9-15(10-4-3-6-12(15)17)11-16-13(18)7-5-8-14(16)19/h2H,1,3-11H2/t15-/m1/s1.
What are the key properties of 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione?
1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione has a molecular weight of 263.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 162418723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).