1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol

C12H23NO2 — CID 104889632

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC2CCC(C)(C)O2)C1
InChIInChI=1S/C12H23NO2/c1-11(2)5-4-10(15-11)8-13-7-6-12(3,14)9-13/h10,14H,4-9H2,1-3H3
InChIKeyNTTWGDCBOHCQGN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.40
Rot. Bonds2

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol

1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 104889632) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID104889632
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC2CCC(C)(C)O2)C1
InChIInChI=1S/C12H23NO2/c1-11(2)5-4-10(15-11)8-13-7-6-12(3,14)9-13/h10,14H,4-9H2,1-3H3
InChIKeyNTTWGDCBOHCQGN-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
CID 116524419
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 116522721
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
10-[(5,5-dimethyloxolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 116524582
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 104889558
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 116522730
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol (CID 104889632) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(CC2CCC(C)(C)O2)C1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is NTTWGDCBOHCQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)5-4-10(15-11)8-13-7-6-12(3,14)9-13/h10,14H,4-9H2,1-3H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol?
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 213.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 104889632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).