2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide

C9H15N3O — CID 139379424

IUPAC2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide
SMILESC=C1N(CC(N)=O)CC12CCCN2
InChIInChI=1S/C9H15N3O/c1-7-9(3-2-4-11-9)6-12(7)5-8(10)13/h11H,1-6H2,(H2,10,13)
InChIKeyBTTKHQRVGWEKCF-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.58
Rot. Bonds2

About 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide

2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide (PubChem CID 139379424) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide
PubChem CID139379424
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide
SMILESC=C1N(CC(N)=O)CC12CCCN2
InChIInChI=1S/C9H15N3O/c1-7-9(3-2-4-11-9)6-12(7)5-8(10)13/h11H,1-6H2,(H2,10,13)
InChIKeyBTTKHQRVGWEKCF-UHFFFAOYSA-N
XLogP-0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide?
The IUPAC name of 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide (CID 139379424) is 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide.
What is the SMILES notation for 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide?
The canonical SMILES for 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide is C=C1N(CC(N)=O)CC12CCCN2.
What is the InChIKey of 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide?
The InChIKey is BTTKHQRVGWEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-9(3-2-4-11-9)6-12(7)5-8(10)13/h11H,1-6H2,(H2,10,13).
What are the key properties of 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide?
2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide is sourced from PubChem (CID 139379424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).