N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide

C10H15NO2 — CID 89073483

IUPACN-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
SMILESCOC1CC=CC=C1CNC(C)=O
InChIInChI=1S/C10H15NO2/c1-8(12)11-7-9-5-3-4-6-10(9)13-2/h3-5,10H,6-7H2,1-2H3,(H,11,12)
InChIKeyYFSOCKMKSWSZJJ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.02
Rot. Bonds3

About N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide

N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide (PubChem CID 89073483) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
PubChem CID89073483
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide
SMILESCOC1CC=CC=C1CNC(C)=O
InChIInChI=1S/C10H15NO2/c1-8(12)11-7-9-5-3-4-6-10(9)13-2/h3-5,10H,6-7H2,1-2H3,(H,11,12)
InChIKeyYFSOCKMKSWSZJJ-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide?
The IUPAC name of N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide (CID 89073483) is N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide?
The canonical SMILES for N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide is COC1CC=CC=C1CNC(C)=O.
What is the InChIKey of N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide?
The InChIKey is YFSOCKMKSWSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(12)11-7-9-5-3-4-6-10(9)13-2/h3-5,10H,6-7H2,1-2H3,(H,11,12).
What are the key properties of N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide?
N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide has a molecular weight of 181.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxycyclohexa-1,3-dien-1-yl)methyl]acetamide is sourced from PubChem (CID 89073483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).