trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide

C11H19NO2 — CID 59461825

IUPACtrans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide
SMILESCC(C)C(=O)[C@@H]1CC[C@H]1C(=O)N(C)C
InChIInChI=1S/C11H19NO2/c1-7(2)10(13)8-5-6-9(8)11(14)12(3)4/h7-9H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyFVYZRFPAFSOREN-RKDXNWHRSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds3

About trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide

trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide (PubChem CID 59461825) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide
PubChem CID59461825
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametrans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide
SMILESCC(C)C(=O)[C@@H]1CC[C@H]1C(=O)N(C)C
InChIInChI=1S/C11H19NO2/c1-7(2)10(13)8-5-6-9(8)11(14)12(3)4/h7-9H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyFVYZRFPAFSOREN-RKDXNWHRSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide (CID 59461825) is trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide is CC(C)C(=O)[C@@H]1CC[C@H]1C(=O)N(C)C.
What is the InChIKey of trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide?
The InChIKey is FVYZRFPAFSOREN-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)10(13)8-5-6-9(8)11(14)12(3)4/h7-9H,5-6H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide?
trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 59461825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).