1-(1-ethylcyclopentyl)prop-2-yn-1-one

C10H14O — CID 114978540

IUPAC1-(1-ethylcyclopentyl)prop-2-yn-1-one
SMILESC#CC(=O)C1(CC)CCCC1
InChIInChI=1S/C10H14O/c1-3-9(11)10(4-2)7-5-6-8-10/h1H,4-8H2,2H3
InChIKeyLRCBDLBSJGLEQJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds2

About 1-(1-ethylcyclopentyl)prop-2-yn-1-one

1-(1-ethylcyclopentyl)prop-2-yn-1-one (PubChem CID 114978540) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)prop-2-yn-1-one
PubChem CID114978540
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(1-ethylcyclopentyl)prop-2-yn-1-one
SMILESC#CC(=O)C1(CC)CCCC1
InChIInChI=1S/C10H14O/c1-3-9(11)10(4-2)7-5-6-8-10/h1H,4-8H2,2H3
InChIKeyLRCBDLBSJGLEQJ-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)prop-2-yn-1-one?
The IUPAC name of 1-(1-ethylcyclopentyl)prop-2-yn-1-one (CID 114978540) is 1-(1-ethylcyclopentyl)prop-2-yn-1-one.
What is the SMILES notation for 1-(1-ethylcyclopentyl)prop-2-yn-1-one?
The canonical SMILES for 1-(1-ethylcyclopentyl)prop-2-yn-1-one is C#CC(=O)C1(CC)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)prop-2-yn-1-one?
The InChIKey is LRCBDLBSJGLEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-9(11)10(4-2)7-5-6-8-10/h1H,4-8H2,2H3.
What are the key properties of 1-(1-ethylcyclopentyl)prop-2-yn-1-one?
1-(1-ethylcyclopentyl)prop-2-yn-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)prop-2-yn-1-one is sourced from PubChem (CID 114978540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).