3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one

C9H16N2O2 — CID 132647894

IUPAC3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NC(CO)CC12CCNCC2
InChIInChI=1S/C9H16N2O2/c12-6-7-5-9(8(13)11-7)1-3-10-4-2-9/h7,10,12H,1-6H2,(H,11,13)
InChIKeyQBVLNEUKRQCYID-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.76
Rot. Bonds1

About 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one

3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 132647894) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID132647894
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NC(CO)CC12CCNCC2
InChIInChI=1S/C9H16N2O2/c12-6-7-5-9(8(13)11-7)1-3-10-4-2-9/h7,10,12H,1-6H2,(H,11,13)
InChIKeyQBVLNEUKRQCYID-UHFFFAOYSA-N
XLogP-0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
3-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 130888250
4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one
CID 126824791
5-(hydroxymethyl)-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 23359507
8-(hydroxymethyl)-2-azaspiro[4.5]decan-1-one
CID 176544872
(3S,5S)-5-(hydroxymethyl)-3-methyl-3-prop-2-enylpyrrolidin-2-one
CID 142636257
3-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-1-one
CID 167580346
3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131872715
(5S)-3,3-dibenzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 100949010
ethane;6-methyl-5-azaspiro[2.4]heptan-4-one
CID 178006224
3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 135231042
(7R)-7-methyl-6-azaspiro[3.4]octan-5-one
CID 155819762

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 132647894) is 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1NC(CO)CC12CCNCC2.
What is the InChIKey of 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QBVLNEUKRQCYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-6-7-5-9(8(13)11-7)1-3-10-4-2-9/h7,10,12H,1-6H2,(H,11,13).
What are the key properties of 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one?
3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 184.24 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 132647894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).