N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide

C9H13NO — CID 89017610

IUPACN-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC[C@@H](C)C=C1
InChIInChI=1S/C9H13NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3,5-7H,4H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyKKRRTVODHKIVNN-ZETCQYMHSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds1

About N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide

N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide (PubChem CID 89017610) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide
PubChem CID89017610
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC[C@@H](C)C=C1
InChIInChI=1S/C9H13NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3,5-7H,4H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyKKRRTVODHKIVNN-ZETCQYMHSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide?
The IUPAC name of N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide (CID 89017610) is N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide.
What is the SMILES notation for N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide?
The canonical SMILES for N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide is CC(=O)NC1=CC[C@@H](C)C=C1.
What is the InChIKey of N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide?
The InChIKey is KKRRTVODHKIVNN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3,5-7H,4H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide?
N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide has a molecular weight of 151.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide is sourced from PubChem (CID 89017610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).