cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide

C9H15NO2 — CID 89126544

IUPACcis-(1S,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-YUMQZZPRSA-N
MW169.22 g/mol
LogP0.69
Rot. Bonds2

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

cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide (PubChem CID 89126544) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide
PubChem CID89126544
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namecis-(1S,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-YUMQZZPRSA-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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Related Compounds

N,N-dimethyl-2-(2-oxocyclopentyl)acetamide
CID 71299227
N,N,2,2-tetramethyl-3-oxocyclobutane-1-carboxamide
CID 12714147
N,N,1,2,2-pentamethyl-3-oxocyclobutane-1-carboxamide
CID 12714149
1-N,1-N,2-N,2-N-tetramethylcyclobutane-1,2-dicarboxamide
CID 134893832
4-cyclohexyl-N,N-dimethyl-4-oxobutanamide
CID 138966505
N,N-dimethyl-2,3-dioxocyclohexane-1-carboxamide
CID 20229923
N,N,5-trimethyl-4-oxohexanamide
CID 20600835
N,N-Dimethyl-3,5-dioxocyclohexane-1-carboxamide
CID 21278668
3-cyclobutyl-N,N-dimethyl-2-oxopropanamide
CID 22977910
trans-(1R,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide
CID 59461825
cis-(1S,2R)-N,N-dimethyl-2-(2-methylpropanoyl)cyclobutane-1-carboxamide
CID 59462396
trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide
CID 59801978

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide (CID 89126544) is cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for cis-(1S,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 cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide?
The InChIKey is SYOAJHHDWOKIRX-YUMQZZPRSA-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 cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide?
cis-(1S,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 cis-(1S,2R)-2-acetyl-N,N-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 89126544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).