(1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one

C11H19NO — CID 125181029

IUPAC(1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one
SMILESCC(C)[C@@H]1NC(=O)C12CCCCC2
InChIInChI=1S/C11H19NO/c1-8(2)9-11(10(13)12-9)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyPLZMQTVAVKJLSB-VIFPVBQESA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds1

About (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one

(1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one (PubChem CID 125181029) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name(1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one
PubChem CID125181029
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one
SMILESCC(C)[C@@H]1NC(=O)C12CCCCC2
InChIInChI=1S/C11H19NO/c1-8(2)9-11(10(13)12-9)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyPLZMQTVAVKJLSB-VIFPVBQESA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methoxyethyl)-2-azaspiro[3.5]nonan-3-one
CID 130985328
1-propan-2-yl-2-azaspiro[3.4]oct-6-en-3-one
CID 122163322
3-propan-2-yl-2-azaspiro[4.5]decan-1-one
CID 168986855
1-propan-2-yloxyspiro[3.5]nonan-3-one
CID 66367846
6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 115563241
3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874601
1-propan-2-yl-2-azaspiro[4.5]decane
CID 82601210
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
CID 125180932
6,8-di(propan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874595
1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874785
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65463301
(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 131543216

Frequently Asked Questions

What is the IUPAC name of (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one (CID 125181029) is (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one is CC(C)[C@@H]1NC(=O)C12CCCCC2.
What is the InChIKey of (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is PLZMQTVAVKJLSB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)9-11(10(13)12-9)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one?
(1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-propan-2-yl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 125181029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).