1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one

C7H13N3O2 — CID 105434734

IUPAC1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one
SMILESO=C1NNCC2(CCNCC2)O1
InChIInChI=1S/C7H13N3O2/c11-6-10-9-5-7(12-6)1-3-8-4-2-7/h8-9H,1-5H2,(H,10,11)
InChIKeyPFYVLPGMFNJBOO-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.65
Rot. Bonds

About 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one

1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one (PubChem CID 105434734) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one
PubChem CID105434734
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one
SMILESO=C1NNCC2(CCNCC2)O1
InChIInChI=1S/C7H13N3O2/c11-6-10-9-5-7(12-6)1-3-8-4-2-7/h8-9H,1-5H2,(H,10,11)
InChIKeyPFYVLPGMFNJBOO-UHFFFAOYSA-N
XLogP-0.65
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 99645109
3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 131262021
3-(2-hydroxyethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 105467641
1,2-dioxa-8-azaspiro[4.5]decane
CID 22220472
(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
CID 86334414
4-cyclopropyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154006136
(5S)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 99256631
3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 154925029
1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
CID 167731589
spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 12704137
7-oxa-3,10-diazaspiro[5.6]dodecane
CID 141353214
spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
CID 16643166

Frequently Asked Questions

What is the IUPAC name of 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one (CID 105434734) is 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one is O=C1NNCC2(CCNCC2)O1.
What is the InChIKey of 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one?
The InChIKey is PFYVLPGMFNJBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c11-6-10-9-5-7(12-6)1-3-8-4-2-7/h8-9H,1-5H2,(H,10,11).
What are the key properties of 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one?
1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one has a molecular weight of 171.20 g/mol, XLogP of -0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-3,4,9-triazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 105434734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).