3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one

C10H18N2O2 — CID 130674066

IUPAC3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
SMILESNCCC(=O)N1CCCC12CCOC2
InChIInChI=1S/C10H18N2O2/c11-5-2-9(13)12-6-1-3-10(12)4-7-14-8-10/h1-8,11H2
InChIKeyURHMRVSBZMQHLW-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.12
Rot. Bonds2

About 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one

3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one (PubChem CID 130674066) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
PubChem CID130674066
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
SMILESNCCC(=O)N1CCCC12CCOC2
InChIInChI=1S/C10H18N2O2/c11-5-2-9(13)12-6-1-3-10(12)4-7-14-8-10/h1-8,11H2
InChIKeyURHMRVSBZMQHLW-UHFFFAOYSA-N
XLogP0.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 126997899
2-chloro-1-(9-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
CID 167746989
3-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)but-2-en-1-one
CID 130689992
2-amino-1-(4-azaspiro[2.4]heptan-4-yl)ethanone
CID 154535282
1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one
CID 124627376
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
(2R)-1-amino-3-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-2-ol
CID 126997898
1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone
CID 119037778
9-oxa-6-azaspiro[4.5]decane-6-carbohydrazide
CID 130908950
4-(1-benzothiophen-3-yl)-1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)butan-1-one
CID 126812463
2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
CID 75518815
1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-2-ol
CID 130627672

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one (CID 130674066) is 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one is NCCC(=O)N1CCCC12CCOC2.
What is the InChIKey of 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The InChIKey is URHMRVSBZMQHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-5-2-9(13)12-6-1-3-10(12)4-7-14-8-10/h1-8,11H2.
What are the key properties of 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one has a molecular weight of 198.27 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one is sourced from PubChem (CID 130674066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).