(3-prop-1-ynylcyclopent-2-en-1-yl) acetate

C10H12O2 — CID 145260813

IUPAC(3-prop-1-ynylcyclopent-2-en-1-yl) acetate
SMILESCC#CC1=CC(OC(C)=O)CC1
InChIInChI=1S/C10H12O2/c1-3-4-9-5-6-10(7-9)12-8(2)11/h7,10H,5-6H2,1-2H3
InChIKeySGALQGWOIXFDNP-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.66
Rot. Bonds1

About (3-prop-1-ynylcyclopent-2-en-1-yl) acetate

(3-prop-1-ynylcyclopent-2-en-1-yl) acetate (PubChem CID 145260813) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3-prop-1-ynylcyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(3-prop-1-ynylcyclopent-2-en-1-yl) acetate
PubChem CID145260813
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3-prop-1-ynylcyclopent-2-en-1-yl) acetate
SMILESCC#CC1=CC(OC(C)=O)CC1
InChIInChI=1S/C10H12O2/c1-3-4-9-5-6-10(7-9)12-8(2)11/h7,10H,5-6H2,1-2H3
InChIKeySGALQGWOIXFDNP-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-3-prop-1-en-2-ylcyclopent-2-en-1-yl] acetate
CID 56590409
(3-acetyloxycyclopenten-1-yl) propanoate
CID 175261459
(4-prop-1-ynylcyclohexa-2,4-dien-1-yl) acetate
CID 89208640
[(1R)-3-bromocyclohept-2-en-1-yl] acetate
CID 11333750
[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
CID 10966588
[(2E,6E,10E)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-yl] acetate
CID 134735458
(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate
CID 90261977
(5-methyl-2,3-dihydrofuran-3-yl) acetate
CID 57066065
[(6R,8aS)-3,4,6,7,8,8a-hexahydro-2H-chromen-6-yl] acetate
CID 11074321
3-methyl-1-prop-1-ynylcyclohexene
CID 45079233
[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
CID 101022571
[(1R)-3-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-yl] acetate
CID 166439516

Frequently Asked Questions

What is the IUPAC name of (3-prop-1-ynylcyclopent-2-en-1-yl) acetate?
The IUPAC name of (3-prop-1-ynylcyclopent-2-en-1-yl) acetate (CID 145260813) is (3-prop-1-ynylcyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (3-prop-1-ynylcyclopent-2-en-1-yl) acetate?
The canonical SMILES for (3-prop-1-ynylcyclopent-2-en-1-yl) acetate is CC#CC1=CC(OC(C)=O)CC1.
What is the InChIKey of (3-prop-1-ynylcyclopent-2-en-1-yl) acetate?
The InChIKey is SGALQGWOIXFDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-4-9-5-6-10(7-9)12-8(2)11/h7,10H,5-6H2,1-2H3.
What are the key properties of (3-prop-1-ynylcyclopent-2-en-1-yl) acetate?
(3-prop-1-ynylcyclopent-2-en-1-yl) acetate has a molecular weight of 164.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-1-ynylcyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 145260813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).