N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide

C10H15NO2 — CID 14811298

IUPACN-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
SMILESCOC1=CCC(CNC(C)=O)C=C1
InChIInChI=1S/C10H15NO2/c1-8(12)11-7-9-3-5-10(13-2)6-4-9/h3,5-6,9H,4,7H2,1-2H3,(H,11,12)
InChIKeyKYWMDLNTBHFPGN-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.23
Rot. Bonds3

About N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide

N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide (PubChem CID 14811298) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
PubChem CID14811298
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
SMILESCOC1=CCC(CNC(C)=O)C=C1
InChIInChI=1S/C10H15NO2/c1-8(12)11-7-9-3-5-10(13-2)6-4-9/h3,5-6,9H,4,7H2,1-2H3,(H,11,12)
InChIKeyKYWMDLNTBHFPGN-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide
CID 170043554
ZINC-melatonin
CID 129676060
o-lithio-2,4-dimethoxy-N-methylbenzamide
CID 129712812
N-(3-methoxy-4-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 58773924
N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 58773949
N-[2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027848
N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide
CID 70904221
N-[(7-methoxy-3H-isochromen-4-yl)methyl]acetamide
CID 88112016
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
N-(4-methoxycyclohexa-2,4-dien-1-yl)acetamide
CID 89073504
N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide
CID 89313756
N-[2-(7-methoxy-1,8a-dihydronaphthalen-1-yl)ethyl]acetamide
CID 90348267

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide?
The IUPAC name of N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide (CID 14811298) is N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide?
The canonical SMILES for N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide is COC1=CCC(CNC(C)=O)C=C1.
What is the InChIKey of N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide?
The InChIKey is KYWMDLNTBHFPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(12)11-7-9-3-5-10(13-2)6-4-9/h3,5-6,9H,4,7H2,1-2H3,(H,11,12).
What are the key properties of N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide?
N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide has a molecular weight of 181.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide is sourced from PubChem (CID 14811298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).