1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one

C9H17NO3 — CID 148583764

IUPAC1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one
SMILESCC(C)(C)OC(O)N1CCC(=O)C1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h8,12H,4-6H2,1-3H3
InChIKeyMZGRRVOMVZPSHY-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.35
Rot. Bonds2

About 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one (PubChem CID 148583764) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one
PubChem CID148583764
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one
SMILESCC(C)(C)OC(O)N1CCC(=O)C1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h8,12H,4-6H2,1-3H3
InChIKeyMZGRRVOMVZPSHY-UHFFFAOYSA-N
XLogP0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
CID 177198291
(1-cyclopropyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 123874112
[6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 146351009
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
CID 154475897
[3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 123265578
tert-butyl (3-oxopyrrolidin-1-yl) carbonate
CID 69288306
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide
CID 123219754
methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate
CID 155752843
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 66242832
(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142812058
(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 129222575
1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
CID 149271372

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one?
The IUPAC name of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one (CID 148583764) is 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one?
The canonical SMILES for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one is CC(C)(C)OC(O)N1CCC(=O)C1.
What is the InChIKey of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one?
The InChIKey is MZGRRVOMVZPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h8,12H,4-6H2,1-3H3.
What are the key properties of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one?
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one has a molecular weight of 187.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one is sourced from PubChem (CID 148583764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).