N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide

C9H15NO2 — CID 13059208

IUPACN-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide
SMILESCC(=O)NCC1CC(=O)C1(C)C
InChIInChI=1S/C9H15NO2/c1-6(11)10-5-7-4-8(12)9(7,2)3/h7H,4-5H2,1-3H3,(H,10,11)
InChIKeyHYLIJCVANIQPAY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.74
Rot. Bonds2

About N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide

N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide (PubChem CID 13059208) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide
PubChem CID13059208
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide
SMILESCC(=O)NCC1CC(=O)C1(C)C
InChIInChI=1S/C9H15NO2/c1-6(11)10-5-7-4-8(12)9(7,2)3/h7H,4-5H2,1-3H3,(H,10,11)
InChIKeyHYLIJCVANIQPAY-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl n-[(2,2-dimethyl-3-oxocyclobutyl)methyl]carbamate
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3,3,4-Trimethyl-N-(3-methylbutyl)pentanamide
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3,3,4-Trimethyl-N-(2-methylbutyl)pentanamide
CID 71386919
N,2,2-triethylcyclobutane-1-carboxamide
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N-(3,3-dimethylbutan-2-yl)-2-ethyl-4-oxopentanamide
CID 53776902
2-methyl-N-(5-methyl-4-oxohexyl)propanamide
CID 57556867
N-(5,5-dimethyl-6-oxoheptyl)propanamide
CID 57579181
N-(2-acetyl-3-methyl-2-propan-2-ylbutyl)butanamide
CID 57579182
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CID 57579185
N-ethyl-3-methyl-4-oxopentanamide
CID 57776054

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide?
The IUPAC name of N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide (CID 13059208) is N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide.
What is the SMILES notation for N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide?
The canonical SMILES for N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide is CC(=O)NCC1CC(=O)C1(C)C.
What is the InChIKey of N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide?
The InChIKey is HYLIJCVANIQPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)10-5-7-4-8(12)9(7,2)3/h7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide?
N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide has a molecular weight of 169.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3-oxocyclobutyl)methyl]acetamide is sourced from PubChem (CID 13059208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).