1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide

C12H19NO2 — CID 149031374

IUPAC1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCC2=O)CCCCC1
InChIInChI=1S/C12H19NO2/c1-12(7-3-2-4-8-12)11(15)13-9-5-6-10(9)14/h9H,2-8H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyQFMSXSGEHLTNQY-VIFPVBQESA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds2

About 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide

1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide (PubChem CID 149031374) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide
PubChem CID149031374
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCC2=O)CCCCC1
InChIInChI=1S/C12H19NO2/c1-12(7-3-2-4-8-12)11(15)13-9-5-6-10(9)14/h9H,2-8H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyQFMSXSGEHLTNQY-VIFPVBQESA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide (CID 149031374) is 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide is CC1(C(=O)N[C@H]2CCC2=O)CCCCC1.
What is the InChIKey of 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide?
The InChIKey is QFMSXSGEHLTNQY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(7-3-2-4-8-12)11(15)13-9-5-6-10(9)14/h9H,2-8H2,1H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide?
1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-2-oxocyclobutyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 149031374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).