(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one

C14H22N2O3 — CID 97484681

IUPAC(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CC[C@@]2(CCCN(C(=O)[C@H]3CCCO3)CC2)N1
InChIInChI=1S/C14H22N2O3/c17-12-4-6-14(15-12)5-2-8-16(9-7-14)13(18)11-3-1-10-19-11/h11H,1-10H2,(H,15,17)/t11-,14-/m1/s1
InChIKeyWSXCXVKBKJGEHP-BXUZGUMPSA-N
MW266.34 g/mol
LogP0.83
Rot. Bonds1

About (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one

(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97484681) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97484681
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CC[C@@]2(CCCN(C(=O)[C@H]3CCCO3)CC2)N1
InChIInChI=1S/C14H22N2O3/c17-12-4-6-14(15-12)5-2-8-16(9-7-14)13(18)11-3-1-10-19-11/h11H,1-10H2,(H,15,17)/t11-,14-/m1/s1
InChIKeyWSXCXVKBKJGEHP-BXUZGUMPSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 97450527
1-(oxolane-2-carbonyl)-1,4-diazepan-5-one
CID 60707955
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493677
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-2-one
CID 103872787
1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70753038
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450518
1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131683867
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 97484681) is (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one is O=C1CC[C@@]2(CCCN(C(=O)[C@H]3CCCO3)CC2)N1.
What is the InChIKey of (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is WSXCXVKBKJGEHP-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12-4-6-14(15-12)5-2-8-16(9-7-14)13(18)11-3-1-10-19-11/h11H,1-10H2,(H,15,17)/t11-,14-/m1/s1.
What are the key properties of (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one?
(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97484681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).