1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C8H13N3O2 — CID 86633507

IUPAC1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESNC(=O)C1=NOC2(CCNCC2)C1
InChIInChI=1S/C8H13N3O2/c9-7(12)6-5-8(13-11-6)1-3-10-4-2-8/h10H,1-5H2,(H2,9,12)
InChIKeyDJMPVJAFAWOAMX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.63
Rot. Bonds1

About 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 86633507) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID86633507
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESNC(=O)C1=NOC2(CCNCC2)C1
InChIInChI=1S/C8H13N3O2/c9-7(12)6-5-8(13-11-6)1-3-10-4-2-8/h10H,1-5H2,(H2,9,12)
InChIKeyDJMPVJAFAWOAMX-UHFFFAOYSA-N
XLogP-0.63
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 86633507) is 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is NC(=O)C1=NOC2(CCNCC2)C1.
What is the InChIKey of 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is DJMPVJAFAWOAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-7(12)6-5-8(13-11-6)1-3-10-4-2-8/h10H,1-5H2,(H2,9,12).
What are the key properties of 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 86633507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).