[1-[(E)-prop-1-enyl]cyclopentyl] acetate

C10H16O2 — CID 12721514

IUPAC[1-[(E)-prop-1-enyl]cyclopentyl] acetate
SMILESC/C=C/C1(OC(C)=O)CCCC1
InChIInChI=1S/C10H16O2/c1-3-6-10(12-9(2)11)7-4-5-8-10/h3,6H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyNZJCGXIPHXNJOU-ZZXKWVIFSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About [1-[(E)-prop-1-enyl]cyclopentyl] acetate

[1-[(E)-prop-1-enyl]cyclopentyl] acetate (PubChem CID 12721514) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [1-[(E)-prop-1-enyl]cyclopentyl] acetate.

Molecular Properties

Compound Name[1-[(E)-prop-1-enyl]cyclopentyl] acetate
PubChem CID12721514
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[1-[(E)-prop-1-enyl]cyclopentyl] acetate
SMILESC/C=C/C1(OC(C)=O)CCCC1
InChIInChI=1S/C10H16O2/c1-3-6-10(12-9(2)11)7-4-5-8-10/h3,6H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyNZJCGXIPHXNJOU-ZZXKWVIFSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [1-[(E)-prop-1-enyl]cyclopentyl] acetate?
The IUPAC name of [1-[(E)-prop-1-enyl]cyclopentyl] acetate (CID 12721514) is [1-[(E)-prop-1-enyl]cyclopentyl] acetate.
What is the SMILES notation for [1-[(E)-prop-1-enyl]cyclopentyl] acetate?
The canonical SMILES for [1-[(E)-prop-1-enyl]cyclopentyl] acetate is C/C=C/C1(OC(C)=O)CCCC1.
What is the InChIKey of [1-[(E)-prop-1-enyl]cyclopentyl] acetate?
The InChIKey is NZJCGXIPHXNJOU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-6-10(12-9(2)11)7-4-5-8-10/h3,6H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of [1-[(E)-prop-1-enyl]cyclopentyl] acetate?
[1-[(E)-prop-1-enyl]cyclopentyl] acetate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-prop-1-enyl]cyclopentyl] acetate is sourced from PubChem (CID 12721514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).