N-ethyl-N-prop-2-ynylcyclopentanecarboxamide

C11H17NO — CID 78970864

IUPACN-ethyl-N-prop-2-ynylcyclopentanecarboxamide
SMILESC#CCN(CC)C(=O)C1CCCC1
InChIInChI=1S/C11H17NO/c1-3-9-12(4-2)11(13)10-7-5-6-8-10/h1,10H,4-9H2,2H3
InChIKeyZGOYXUANQYZYEF-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.66
Rot. Bonds3

About N-ethyl-N-prop-2-ynylcyclopentanecarboxamide

N-ethyl-N-prop-2-ynylcyclopentanecarboxamide (PubChem CID 78970864) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynylcyclopentanecarboxamide
PubChem CID78970864
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-ethyl-N-prop-2-ynylcyclopentanecarboxamide
SMILESC#CCN(CC)C(=O)C1CCCC1
InChIInChI=1S/C11H17NO/c1-3-9-12(4-2)11(13)10-7-5-6-8-10/h1,10H,4-9H2,2H3
InChIKeyZGOYXUANQYZYEF-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-ynylcyclopentanecarboxamide?
The IUPAC name of N-ethyl-N-prop-2-ynylcyclopentanecarboxamide (CID 78970864) is N-ethyl-N-prop-2-ynylcyclopentanecarboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynylcyclopentanecarboxamide?
The canonical SMILES for N-ethyl-N-prop-2-ynylcyclopentanecarboxamide is C#CCN(CC)C(=O)C1CCCC1.
What is the InChIKey of N-ethyl-N-prop-2-ynylcyclopentanecarboxamide?
The InChIKey is ZGOYXUANQYZYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-12(4-2)11(13)10-7-5-6-8-10/h1,10H,4-9H2,2H3.
What are the key properties of N-ethyl-N-prop-2-ynylcyclopentanecarboxamide?
N-ethyl-N-prop-2-ynylcyclopentanecarboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynylcyclopentanecarboxamide is sourced from PubChem (CID 78970864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).