N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide

C8H11NO — CID 54431540

IUPACN-(4-methylcyclopenta-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=C(C)C1
InChIInChI=1S/C8H11NO/c1-6-3-4-8(5-6)9-7(2)10/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyWHUYFGDHPDZKGP-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.36
Rot. Bonds1

About N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide

N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide (PubChem CID 54431540) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclopenta-1,3-dien-1-yl)acetamide
PubChem CID54431540
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(4-methylcyclopenta-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=C(C)C1
InChIInChI=1S/C8H11NO/c1-6-3-4-8(5-6)9-7(2)10/h3-4H,5H2,1-2H3,(H,9,10)
InChIKeyWHUYFGDHPDZKGP-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide?
The IUPAC name of N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide (CID 54431540) is N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide is CC(=O)NC1=CC=C(C)C1.
What is the InChIKey of N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide?
The InChIKey is WHUYFGDHPDZKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-4-8(5-6)9-7(2)10/h3-4H,5H2,1-2H3,(H,9,10).
What are the key properties of N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide?
N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide has a molecular weight of 137.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclopenta-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 54431540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).