trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide

C9H15NO2 — CID 89345907

IUPACtrans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide
SMILESCC(=O)[C@@H]1CC[C@H]1C(=O)N(C)C
InChIInChI=1S/C9H15NO2/c1-6(11)7-4-5-8(7)9(12)10(2)3/h7-8H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeySYOAJHHDWOKIRX-JGVFFNPUSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds2

About trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide

trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide (PubChem CID 89345907) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide
PubChem CID89345907
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nametrans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide
SMILESCC(=O)[C@@H]1CC[C@H]1C(=O)N(C)C
InChIInChI=1S/C9H15NO2/c1-6(11)7-4-5-8(7)9(12)10(2)3/h7-8H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeySYOAJHHDWOKIRX-JGVFFNPUSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide (CID 89345907) is trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide is CC(=O)[C@@H]1CC[C@H]1C(=O)N(C)C.
What is the InChIKey of trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide?
The InChIKey is SYOAJHHDWOKIRX-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)7-4-5-8(7)9(12)10(2)3/h7-8H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide?
trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 89345907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).