N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide

C8H11NO — CID 13311389

IUPACN-(cyclopenta-1,3-dien-1-ylmethyl)acetamide
SMILESCC(=O)NCC1=CC=CC1
InChIInChI=1S/C8H11NO/c1-7(10)9-6-8-4-2-3-5-8/h2-4H,5-6H2,1H3,(H,9,10)
InChIKeyMKQKPXJYATYPGF-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.01
Rot. Bonds2

About N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide

N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide (PubChem CID 13311389) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(cyclopenta-1,3-dien-1-ylmethyl)acetamide
PubChem CID13311389
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(cyclopenta-1,3-dien-1-ylmethyl)acetamide
SMILESCC(=O)NCC1=CC=CC1
InChIInChI=1S/C8H11NO/c1-7(10)9-6-8-4-2-3-5-8/h2-4H,5-6H2,1H3,(H,9,10)
InChIKeyMKQKPXJYATYPGF-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide?
The IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide (CID 13311389) is N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide.
What is the SMILES notation for N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide?
The canonical SMILES for N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide is CC(=O)NCC1=CC=CC1.
What is the InChIKey of N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide?
The InChIKey is MKQKPXJYATYPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(10)9-6-8-4-2-3-5-8/h2-4H,5-6H2,1H3,(H,9,10).
What are the key properties of N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide?
N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide has a molecular weight of 137.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-1,3-dien-1-ylmethyl)acetamide is sourced from PubChem (CID 13311389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).