2-pent-4-ynylcyclopentan-1-one

C10H14O — CID 10855640

IUPAC2-pent-4-ynylcyclopentan-1-one
SMILESC#CCCCC1CCCC1=O
InChIInChI=1S/C10H14O/c1-2-3-4-6-9-7-5-8-10(9)11/h1,9H,3-8H2
InChIKeyAMRPCZIAGNDBDW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds3

About 2-pent-4-ynylcyclopentan-1-one

2-pent-4-ynylcyclopentan-1-one (PubChem CID 10855640) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-pent-4-ynylcyclopentan-1-one.

Molecular Properties

Compound Name2-pent-4-ynylcyclopentan-1-one
PubChem CID10855640
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-pent-4-ynylcyclopentan-1-one
SMILESC#CCCCC1CCCC1=O
InChIInChI=1S/C10H14O/c1-2-3-4-6-9-7-5-8-10(9)11/h1,9H,3-8H2
InChIKeyAMRPCZIAGNDBDW-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pent-4-ynylcyclopentan-1-one?
The IUPAC name of 2-pent-4-ynylcyclopentan-1-one (CID 10855640) is 2-pent-4-ynylcyclopentan-1-one.
What is the SMILES notation for 2-pent-4-ynylcyclopentan-1-one?
The canonical SMILES for 2-pent-4-ynylcyclopentan-1-one is C#CCCCC1CCCC1=O.
What is the InChIKey of 2-pent-4-ynylcyclopentan-1-one?
The InChIKey is AMRPCZIAGNDBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-4-6-9-7-5-8-10(9)11/h1,9H,3-8H2.
What are the key properties of 2-pent-4-ynylcyclopentan-1-one?
2-pent-4-ynylcyclopentan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-ynylcyclopentan-1-one is sourced from PubChem (CID 10855640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).