trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide

C7H11NO2 — CID 45084156

IUPACtrans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
SMILESCC(=O)[C@@H]1CC[C@H]1C(N)=O
InChIInChI=1S/C7H11NO2/c1-4(9)5-2-3-6(5)7(8)10/h5-6H,2-3H2,1H3,(H2,8,10)/t5-,6+/m0/s1
InChIKeyOIGTYKFSOSSOCJ-NTSWFWBYSA-N
MW141.17 g/mol
LogP0.09
Rot. Bonds2

About trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide

trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide (PubChem CID 45084156) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
PubChem CID45084156
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nametrans-(1R,2R)-2-acetylcyclobutane-1-carboxamide
SMILESCC(=O)[C@@H]1CC[C@H]1C(N)=O
InChIInChI=1S/C7H11NO2/c1-4(9)5-2-3-6(5)7(8)10/h5-6H,2-3H2,1H3,(H2,8,10)/t5-,6+/m0/s1
InChIKeyOIGTYKFSOSSOCJ-NTSWFWBYSA-N
XLogP0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide (CID 45084156) is trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide is CC(=O)[C@@H]1CC[C@H]1C(N)=O.
What is the InChIKey of trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide?
The InChIKey is OIGTYKFSOSSOCJ-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(9)5-2-3-6(5)7(8)10/h5-6H,2-3H2,1H3,(H2,8,10)/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide?
trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide has a molecular weight of 141.17 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-acetylcyclobutane-1-carboxamide is sourced from PubChem (CID 45084156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).