N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide

C10H15NO2 — CID 89313756

IUPACN-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide
SMILESCOC1=C[C@H](C)C(NC(C)=O)C=C1
InChIInChI=1S/C10H15NO2/c1-7-6-9(13-3)4-5-10(7)11-8(2)12/h4-7,10H,1-3H3,(H,11,12)/t7-,10?/m0/s1
InChIKeySNAQGQUZEOVIRJ-BYDSUWOYSA-N
MW181.23 g/mol
LogP1.23
Rot. Bonds2

About N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide

N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 89313756) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide
PubChem CID89313756
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide
SMILESCOC1=C[C@H](C)C(NC(C)=O)C=C1
InChIInChI=1S/C10H15NO2/c1-7-6-9(13-3)4-5-10(7)11-8(2)12/h4-7,10H,1-3H3,(H,11,12)/t7-,10?/m0/s1
InChIKeySNAQGQUZEOVIRJ-BYDSUWOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide (CID 89313756) is N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide is COC1=C[C@H](C)C(NC(C)=O)C=C1.
What is the InChIKey of N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is SNAQGQUZEOVIRJ-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-6-9(13-3)4-5-10(7)11-8(2)12/h4-7,10H,1-3H3,(H,11,12)/t7-,10?/m0/s1.
What are the key properties of N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide?
N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 181.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 89313756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).