N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide

C10H15NO2 — CID 58773949

IUPACN-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCOC1=CCC(NC(C)=O)C=C1C
InChIInChI=1S/C10H15NO2/c1-7-6-9(11-8(2)12)4-5-10(7)13-3/h5-6,9H,4H2,1-3H3,(H,11,12)
InChIKeyVWQRKOUHVQIGKU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.37
Rot. Bonds2

About N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide

N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 58773949) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide
PubChem CID58773949
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCOC1=CCC(NC(C)=O)C=C1C
InChIInChI=1S/C10H15NO2/c1-7-6-9(11-8(2)12)4-5-10(7)13-3/h5-6,9H,4H2,1-3H3,(H,11,12)
InChIKeyVWQRKOUHVQIGKU-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methoxycyclohexa-2,4-dien-1-yl)formamide
CID 89302580
2-methyl-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]propanamide
CID 156030842
ZINC-melatonin
CID 129676060
N-[(1S)-1-(5-fluoro-3-methoxycyclohepta-1,3,6-trien-1-yl)ethyl]formamide
CID 176959325
N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 14811298
(3-Acetamidocyclohexa-1,5-dien-1-yl) formate
CID 57143476
N-(3-methoxy-4-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 58773924
2-cyano-N-[(3,4-dimethoxybenzene-5-id-1-yl)methyl]acetamide;yttrium
CID 59226921
N-(8-chloro-3,6-dihydro-2H-xanthen-2-yl)acetamide
CID 70204279
N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide
CID 70275638
N-[(7-hydroxy-3H-isochromen-4-yl)methyl]acetamide
CID 87937728
N-[(7-methoxy-3H-isochromen-4-yl)methyl]acetamide
CID 88112016

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide (CID 58773949) is N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide is COC1=CCC(NC(C)=O)C=C1C.
What is the InChIKey of N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is VWQRKOUHVQIGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-6-9(11-8(2)12)4-5-10(7)13-3/h5-6,9H,4H2,1-3H3,(H,11,12).
What are the key properties of N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide?
N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 181.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 58773949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).