[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol

C12H21NO3 — CID 165488460

IUPAC[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(C2CCOC23CCOC3)C1
InChIInChI=1S/C12H21NO3/c14-8-10-1-4-13(7-10)11-2-5-16-12(11)3-6-15-9-12/h10-11,14H,1-9H2
InChIKeyDLFXUCKVWWISCY-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.25
Rot. Bonds2

About [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol

[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 165488460) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
PubChem CID165488460
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(C2CCOC23CCOC3)C1
InChIInChI=1S/C12H21NO3/c14-8-10-1-4-13(7-10)11-2-5-16-12(11)3-6-15-9-12/h10-11,14H,1-9H2
InChIKeyDLFXUCKVWWISCY-UHFFFAOYSA-N
XLogP0.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
CID 165469741
2-[4-(1,7-dioxaspiro[4.4]nonan-4-yl)piperazin-1-yl]ethanol
CID 165488455
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
CID 83040396
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 112628863
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methanol
CID 114623860
[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol
CID 104585504
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611

Frequently Asked Questions

What is the IUPAC name of [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol (CID 165488460) is [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol is OCC1CCN(C2CCOC23CCOC3)C1.
What is the InChIKey of [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is DLFXUCKVWWISCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-8-10-1-4-13(7-10)11-2-5-16-12(11)3-6-15-9-12/h10-11,14H,1-9H2.
What are the key properties of [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol?
[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 227.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 165488460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).