trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide

C8H13NO2 — CID 89033190

IUPACtrans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H]1C=O
InChIInChI=1S/C8H13NO2/c1-9(2)8(11)7-4-3-6(7)5-10/h5-7H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyAGDORGNZTHLFMR-BQBZGAKWSA-N
MW155.20 g/mol
LogP0.30
Rot. Bonds2

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

trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide (PubChem CID 89033190) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide
PubChem CID89033190
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nametrans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H]1C=O
InChIInChI=1S/C8H13NO2/c1-9(2)8(11)7-4-3-6(7)5-10/h5-7H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyAGDORGNZTHLFMR-BQBZGAKWSA-N
XLogP0.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide (CID 89033190) is trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide is CN(C)C(=O)[C@H]1CC[C@H]1C=O.
What is the InChIKey of trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide?
The InChIKey is AGDORGNZTHLFMR-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9(2)8(11)7-4-3-6(7)5-10/h5-7H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide?
trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-formyl-N,N-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 89033190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).