1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one

C12H21NO — CID 130721457

IUPAC1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C12H21NO/c1-10(2)11(14)13-8-6-12(7-9-13)4-3-5-12/h10H,3-9H2,1-2H3
InChIKeyIEHRIRRQYZKFAG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds1

About 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one

1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one (PubChem CID 130721457) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
PubChem CID130721457
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C12H21NO/c1-10(2)11(14)13-8-6-12(7-9-13)4-3-5-12/h10H,3-9H2,1-2H3
InChIKeyIEHRIRRQYZKFAG-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061
2-methyl-1-[2-(propan-2-ylamino)-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 164567308
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
3-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-3-oxopropanoic acid
CID 114898383
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
CID 130891514
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-1-one
CID 107300674
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
CID 158658262
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087

Frequently Asked Questions

What is the IUPAC name of 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one (CID 130721457) is 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCC2(CCC2)CC1.
What is the InChIKey of 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one?
The InChIKey is IEHRIRRQYZKFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)11(14)13-8-6-12(7-9-13)4-3-5-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one?
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one is sourced from PubChem (CID 130721457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).