1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol

C17H31NO2 — CID 114338570

IUPAC1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-14(19)12-15-6-5-10-18(15)16-7-11-20-17(13-16)8-3-2-4-9-17/h14-16,19H,2-13H2,1H3
InChIKeyORBOITRYTJBLGT-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol

1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 114338570) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID114338570
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-14(19)12-15-6-5-10-18(15)16-7-11-20-17(13-16)8-3-2-4-9-17/h14-16,19H,2-13H2,1H3
InChIKeyORBOITRYTJBLGT-UHFFFAOYSA-N
XLogP3.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338580
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919417
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919663
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281
[4-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanamine
CID 103353008
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919993
2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol (CID 114338570) is 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is ORBOITRYTJBLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14(19)12-15-6-5-10-18(15)16-7-11-20-17(13-16)8-3-2-4-9-17/h14-16,19H,2-13H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 281.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).