1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione

C12H19NO3 — CID 106131586

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2CCCC(O)C2)C1=O
InChIInChI=1S/C12H19NO3/c1-8-5-11(15)13(12(8)16)7-9-3-2-4-10(14)6-9/h8-10,14H,2-7H2,1H3
InChIKeyXIXGKLPNVQLIGC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.93
Rot. Bonds2

About 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione

1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 106131586) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID106131586
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC2CCCC(O)C2)C1=O
InChIInChI=1S/C12H19NO3/c1-8-5-11(15)13(12(8)16)7-9-3-2-4-10(14)6-9/h8-10,14H,2-7H2,1H3
InChIKeyXIXGKLPNVQLIGC-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 114147569
4-[(3-hydroxycyclohexyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 106131696
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
(3S)-3-methyl-1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 134510381
3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 114148602
1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
CID 104751309
3-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 106131519
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
CID 167261492
3-methyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 63306073
3-(cyclopropylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 106137696
5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62299952
3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 106131105

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione (CID 106131586) is 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC2CCCC(O)C2)C1=O.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is XIXGKLPNVQLIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-5-11(15)13(12(8)16)7-9-3-2-4-10(14)6-9/h8-10,14H,2-7H2,1H3.
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106131586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).