2-ethenyl-2-pent-3-ynoxycyclopentan-1-one

C12H16O2 — CID 102184312

IUPAC2-ethenyl-2-pent-3-ynoxycyclopentan-1-one
SMILESC=CC1(OCCC#CC)CCCC1=O
InChIInChI=1S/C12H16O2/c1-3-5-6-10-14-12(4-2)9-7-8-11(12)13/h4H,2,6-10H2,1H3
InChIKeyLDICNBDSEWHNQZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.09
Rot. Bonds4

About 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one

2-ethenyl-2-pent-3-ynoxycyclopentan-1-one (PubChem CID 102184312) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one.

Molecular Properties

Compound Name2-ethenyl-2-pent-3-ynoxycyclopentan-1-one
PubChem CID102184312
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-ethenyl-2-pent-3-ynoxycyclopentan-1-one
SMILESC=CC1(OCCC#CC)CCCC1=O
InChIInChI=1S/C12H16O2/c1-3-5-6-10-14-12(4-2)9-7-8-11(12)13/h4H,2,6-10H2,1H3
InChIKeyLDICNBDSEWHNQZ-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one
CID 11615719
2-but-2-ynyl-2-methylcyclohexan-1-one
CID 13308710
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
(3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane
CID 173419809
(3R)-3-but-3-enyl-3-hex-1-ynylcyclohexan-1-one
CID 134944405
1-(pent-3-ynoxymethyl)cyclohexan-1-amine
CID 104808636
trans-(2R,6S)-6-but-2-ynyl-2-hydroxy-2-prop-2-enylcyclohexan-1-one
CID 102373505
methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate
CID 10584641
2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
CID 90417728
1-(1-methoxycyclobutyl)hex-4-yn-1-one
CID 116706870
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one
CID 101059159
2,2-dichloro-3-hex-1-ynyl-3-methylcyclohexan-1-one
CID 12023286

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one?
The IUPAC name of 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one (CID 102184312) is 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one.
What is the SMILES notation for 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one?
The canonical SMILES for 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one is C=CC1(OCCC#CC)CCCC1=O.
What is the InChIKey of 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one?
The InChIKey is LDICNBDSEWHNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-5-6-10-14-12(4-2)9-7-8-11(12)13/h4H,2,6-10H2,1H3.
What are the key properties of 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one?
2-ethenyl-2-pent-3-ynoxycyclopentan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-pent-3-ynoxycyclopentan-1-one is sourced from PubChem (CID 102184312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).