AG-G-84719

C9H14O2 — CID 11367120

IUPACcis-(2S,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC[C@@]1([C@H](CCC1=O)O)CC=C
InChIInChI=1S/C9H14O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7,10H,1,4-6H2,2H3/t7-,9-/m0/s1
InChIKeyDKKOSAKIPMMIFY-CBAPKCEASA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds2

About AG-G-84719

AG-G-84719 (PubChem CID 11367120) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is cis-(2S,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound NameAG-G-84719
PubChem CID11367120
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namecis-(2S,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC[C@@]1([C@H](CCC1=O)O)CC=C
InChIInChI=1S/C9H14O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7,10H,1,4-6H2,2H3/t7-,9-/m0/s1
InChIKeyDKKOSAKIPMMIFY-CBAPKCEASA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity186

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one
CID 10488674
(2r,3s)-2-Allyl-3-hydroxy-2-methylcyclopentanone
CID 11159432
cis-(2R,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 13407451
1-[(1R,2R)-2-hydroxy-1-(3-methylbut-3-enyl)cyclopentyl]ethanone
CID 102051000
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
cis-And trans-2-allyl-3-hydroxy-2-methylcyclopentanone
CID 145864067
(+/-)-trans-3-Hydroxy-2-allyl-2-methylcyclopentanone
CID 145925781
cis-(2S,3S)-3-hydroxy-2-methyl-2-(3-methylbut-2-enyl)cyclopentan-1-one
CID 164671578
3-Hydroxy-2-methyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
CID 342741
Methyl 1-allyl-2-hydroxycyclopentanecarboxylate
CID 548912
cis-(2S,3S)-2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 10877519
Cyclopentanecarboxylic acid, 2-hydroxy-1-(2-propenyl)-, methyl ester, cis-
CID 12101481

Frequently Asked Questions

What is the IUPAC name of AG-G-84719?
The IUPAC name of AG-G-84719 (CID 11367120) is cis-(2S,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for AG-G-84719?
The canonical SMILES for AG-G-84719 is C[C@@]1([C@H](CCC1=O)O)CC=C.
What is the InChIKey of AG-G-84719?
The InChIKey is DKKOSAKIPMMIFY-CBAPKCEASA-N. The full InChI is InChI=1S/C9H14O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7,10H,1,4-6H2,2H3/t7-,9-/m0/s1.
What are the key properties of AG-G-84719?
AG-G-84719 has a molecular weight of 154.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for AG-G-84719 is sourced from PubChem (CID 11367120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).