N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide

C11H19NO — CID 130639993

IUPACN-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)C1=CCCC1
InChIInChI=1S/C11H19NO/c1-9(13)12-8-11(2,3)10-6-4-5-7-10/h6H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyFABLSBZYKURSAP-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide

N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide (PubChem CID 130639993) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide
PubChem CID130639993
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)C1=CCCC1
InChIInChI=1S/C11H19NO/c1-9(13)12-8-11(2,3)10-6-4-5-7-10/h6H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyFABLSBZYKURSAP-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide (CID 130639993) is N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide is CC(=O)NCC(C)(C)C1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide?
The InChIKey is FABLSBZYKURSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)12-8-11(2,3)10-6-4-5-7-10/h6H,4-5,7-8H2,1-3H3,(H,12,13).
What are the key properties of N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide?
N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 130639993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).