(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one

C9H16N2O — CID 97174895

IUPAC(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one
SMILESCC(C)N1CC[C@]2(CC(=O)N2)C1
InChIInChI=1S/C9H16N2O/c1-7(2)11-4-3-9(6-11)5-8(12)10-9/h7H,3-6H2,1-2H3,(H,10,12)/t9-/m0/s1
InChIKeyGGLSQCHDCVCZPE-VIFPVBQESA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds1

About (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one

(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one (PubChem CID 97174895) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one.

Molecular Properties

Compound Name(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one
PubChem CID97174895
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one
SMILESCC(C)N1CC[C@]2(CC(=O)N2)C1
InChIInChI=1S/C9H16N2O/c1-7(2)11-4-3-9(6-11)5-8(12)10-9/h7H,3-6H2,1-2H3,(H,10,12)/t9-/m0/s1
InChIKeyGGLSQCHDCVCZPE-VIFPVBQESA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one
CID 97175419
8-methyl-1,8-diazaspiro[3.5]nonan-2-one
CID 169184407
2-(4-fluorophenyl)sulfonyl-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066921
(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one
CID 97166637
6-propan-2-yl-1,6-diazaspiro[2.5]octane
CID 58584452
9-propan-2-yl-2,9-diazaspiro[4.6]undecane-1,3-dione
CID 65075899
7-cyclopropyl-1,7-diazaspiro[3.5]nonan-2-one
CID 71649500
2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066920
7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one
CID 139457817
5,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 79321146
2-[5-(4-methoxyphenyl)-1,3-oxazole-4-carbonyl]-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066916

Frequently Asked Questions

What is the IUPAC name of (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one?
The IUPAC name of (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one (CID 97174895) is (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one.
What is the SMILES notation for (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one?
The canonical SMILES for (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one is CC(C)N1CC[C@]2(CC(=O)N2)C1.
What is the InChIKey of (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one?
The InChIKey is GGLSQCHDCVCZPE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)11-4-3-9(6-11)5-8(12)10-9/h7H,3-6H2,1-2H3,(H,10,12)/t9-/m0/s1.
What are the key properties of (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one?
(4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-2-one is sourced from PubChem (CID 97174895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).