1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone

C8H15N3O — CID 176675160

IUPAC1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CCN2N)C1
InChIInChI=1S/C8H15N3O/c1-7(12)10-4-2-8(6-10)3-5-11(8)9/h2-6,9H2,1H3
InChIKeyQDGKTFZOMDRXAG-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.44
Rot. Bonds

About 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone

1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone (PubChem CID 176675160) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone.

Molecular Properties

Compound Name1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone
PubChem CID176675160
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CCN2N)C1
InChIInChI=1S/C8H15N3O/c1-7(12)10-4-2-8(6-10)3-5-11(8)9/h2-6,9H2,1H3
InChIKeyQDGKTFZOMDRXAG-UHFFFAOYSA-N
XLogP-0.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
CID 82411727
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
(1-acetyl-3-methylpyrrolidin-3-yl) carbamate
CID 175411434
1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
CID 166543592
1-acetyl-4-aminopiperidine-4-carboxylic acid
CID 127018755
1-(3,3-diethylpiperidin-1-yl)ethanone
CID 89177702
1-acetyl-3-fluoropyrrolidine-3-carbonitrile
CID 126758837
1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane
CID 145315746
1-(1-acetyl-4-hydroxypiperidin-4-yl)ethanone
CID 15117211
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone?
The IUPAC name of 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone (CID 176675160) is 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone.
What is the SMILES notation for 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone?
The canonical SMILES for 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone is CC(=O)N1CCC2(CCN2N)C1.
What is the InChIKey of 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone?
The InChIKey is QDGKTFZOMDRXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(12)10-4-2-8(6-10)3-5-11(8)9/h2-6,9H2,1H3.
What are the key properties of 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone?
1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone has a molecular weight of 169.23 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1,7-diazaspiro[3.4]octan-7-yl)ethanone is sourced from PubChem (CID 176675160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).