N-cyclohepta-1,4,6-trien-1-ylacetamide

C9H11NO — CID 142183927

IUPACN-cyclohepta-1,4,6-trien-1-ylacetamide
SMILESCC(=O)NC1=CCC=CC=C1
InChIInChI=1S/C9H11NO/c1-8(11)10-9-6-4-2-3-5-7-9/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyCXDOXNDXILYALC-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.52
Rot. Bonds1

About N-cyclohepta-1,4,6-trien-1-ylacetamide

N-cyclohepta-1,4,6-trien-1-ylacetamide (PubChem CID 142183927) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-cyclohepta-1,4,6-trien-1-ylacetamide.

Molecular Properties

Compound NameN-cyclohepta-1,4,6-trien-1-ylacetamide
PubChem CID142183927
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-cyclohepta-1,4,6-trien-1-ylacetamide
SMILESCC(=O)NC1=CCC=CC=C1
InChIInChI=1S/C9H11NO/c1-8(11)10-9-6-4-2-3-5-7-9/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyCXDOXNDXILYALC-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 121306850
N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide
CID 155672748
N-phenylcyclohepta-1,4,6-trien-1-amine
CID 142428627
1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone
CID 143363628
acetic acid;bis(cyclopenta-1,3-diene)
CID 67827071
N-[(5-acetamidocyclohepta-1,4,6-trien-1-yl)carbamoyl]-4-tert-butylbenzamide
CID 143638966
cyclohepta-1,4,6-trien-1-ol;propane
CID 143919108
1-N'-cyclohepta-1,4,6-trien-1-yl-1-N-prop-2-enylethane-1,1-diamine
CID 142224867
1-(4-chlorophenyl)-3-cyclopenta-1,4-dien-1-ylurea
CID 139238556
methyl 2-[2-aminoethyl(cyclohepta-1,4,6-trien-1-ylmethyl)amino]acetate
CID 142825359
cyclohepta-1,4,6-trien-1-ylmethyl hydrogen carbonate
CID 143297342
(2S)-2-(cyclohepta-1,4,6-triene-1-carbonylamino)-2-phenylacetic acid
CID 130334724

Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,4,6-trien-1-ylacetamide?
The IUPAC name of N-cyclohepta-1,4,6-trien-1-ylacetamide (CID 142183927) is N-cyclohepta-1,4,6-trien-1-ylacetamide.
What is the SMILES notation for N-cyclohepta-1,4,6-trien-1-ylacetamide?
The canonical SMILES for N-cyclohepta-1,4,6-trien-1-ylacetamide is CC(=O)NC1=CCC=CC=C1.
What is the InChIKey of N-cyclohepta-1,4,6-trien-1-ylacetamide?
The InChIKey is CXDOXNDXILYALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(11)10-9-6-4-2-3-5-7-9/h2-4,6-7H,5H2,1H3,(H,10,11).
What are the key properties of N-cyclohepta-1,4,6-trien-1-ylacetamide?
N-cyclohepta-1,4,6-trien-1-ylacetamide has a molecular weight of 149.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,4,6-trien-1-ylacetamide is sourced from PubChem (CID 142183927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).