N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide

C11H15NO2 — CID 67814195

IUPACN-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide
SMILESCC(=O)N[C@@H](C(C)=O)C1C=CC=CC1
InChIInChI=1S/C11H15NO2/c1-8(13)11(12-9(2)14)10-6-4-3-5-7-10/h3-6,10-11H,7H2,1-2H3,(H,12,14)/t10?,11-/m0/s1
InChIKeyBUTAGTDLYFFWCL-DTIOYNMSSA-N
MW193.25 g/mol
LogP1.21
Rot. Bonds3

About N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide

N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide (PubChem CID 67814195) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide
PubChem CID67814195
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide
SMILESCC(=O)N[C@@H](C(C)=O)C1C=CC=CC1
InChIInChI=1S/C11H15NO2/c1-8(13)11(12-9(2)14)10-6-4-3-5-7-10/h3-6,10-11H,7H2,1-2H3,(H,12,14)/t10?,11-/m0/s1
InChIKeyBUTAGTDLYFFWCL-DTIOYNMSSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 138967080
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CID 156751181
N-ethylcyclohex-3-ene-1-carboxamide
CID 14624901
N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)acetamide
CID 18320334
N-[(E)-2-oxohex-4-en-3-yl]cyclohexanecarboxamide
CID 20659772
(E,2R,5S)-2-methyl-5-(methylamino)-N-(2-oxohexan-3-yl)hex-3-enamide
CID 53981508
2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
CID 54481215
(Z)-7-acetamido-2-methyl-8-oxonon-4-enamide
CID 57696128
6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 58728594
N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide
CID 59539175
5-methylidene-N-propylcyclohex-3-ene-1-carboxamide
CID 68048405
(3S)-3-(cyclohexa-2,4-dien-1-ylmethyl)piperazine-2,5-dione
CID 70296787

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide?
The IUPAC name of N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide (CID 67814195) is N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide is CC(=O)N[C@@H](C(C)=O)C1C=CC=CC1.
What is the InChIKey of N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide?
The InChIKey is BUTAGTDLYFFWCL-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(13)11(12-9(2)14)10-6-4-3-5-7-10/h3-6,10-11H,7H2,1-2H3,(H,12,14)/t10?,11-/m0/s1.
What are the key properties of N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide?
N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexa-2,4-dien-1-yl-2-oxopropyl]acetamide is sourced from PubChem (CID 67814195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).