2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide

C13H21NO2 — CID 159536541

IUPAC2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
SMILESCC(C)C(=O)NC1CCC2(CCC2=O)CC1
InChIInChI=1S/C13H21NO2/c1-9(2)12(16)14-10-3-6-13(7-4-10)8-5-11(13)15/h9-10H,3-8H2,1-2H3,(H,14,16)
InChIKeyUJBLIBZTMQQHNE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide

2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide (PubChem CID 159536541) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
PubChem CID159536541
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
SMILESCC(C)C(=O)NC1CCC2(CCC2=O)CC1
InChIInChI=1S/C13H21NO2/c1-9(2)12(16)14-10-3-6-13(7-4-10)8-5-11(13)15/h9-10H,3-8H2,1-2H3,(H,14,16)
InChIKeyUJBLIBZTMQQHNE-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-bromocyclohexyl)-2-methylpropanamide
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N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide
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2-methyl-N-(2-oxopiperidin-4-yl)propanamide
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N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
CID 115647055
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
2-cyclopropyl-N-(4-oxocyclohexyl)propanamide
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2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide (CID 159536541) is 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide is CC(C)C(=O)NC1CCC2(CCC2=O)CC1.
What is the InChIKey of 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide?
The InChIKey is UJBLIBZTMQQHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)12(16)14-10-3-6-13(7-4-10)8-5-11(13)15/h9-10H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide?
2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide has a molecular weight of 223.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide is sourced from PubChem (CID 159536541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).