2-amino-4-propan-2-ylcyclopentane-1,3-dione

C8H13NO2 — CID 134565143

IUPAC2-amino-4-propan-2-ylcyclopentane-1,3-dione
SMILESCC(C)C1CC(=O)C(N)C1=O
InChIInChI=1S/C8H13NO2/c1-4(2)5-3-6(10)7(9)8(5)11/h4-5,7H,3,9H2,1-2H3
InChIKeySERRATNSYDLQMC-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds1

About 2-amino-4-propan-2-ylcyclopentane-1,3-dione

2-amino-4-propan-2-ylcyclopentane-1,3-dione (PubChem CID 134565143) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-4-propan-2-ylcyclopentane-1,3-dione.

Molecular Properties

Compound Name2-amino-4-propan-2-ylcyclopentane-1,3-dione
PubChem CID134565143
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-amino-4-propan-2-ylcyclopentane-1,3-dione
SMILESCC(C)C1CC(=O)C(N)C1=O
InChIInChI=1S/C8H13NO2/c1-4(2)5-3-6(10)7(9)8(5)11/h4-5,7H,3,9H2,1-2H3
InChIKeySERRATNSYDLQMC-UHFFFAOYSA-N
XLogP0.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropyl)-4-propan-2-ylcyclopentane-1,3-dione
CID 176825471
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CID 71343306
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 134443469
1,3-di(propan-2-yl)azetidin-2-one
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1-oxo-4-propan-2-ylthiolan-3-one
CID 58746554
4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 525916
(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
CID 130737248
ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 170724271
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
2-methylsulfanyl-5-propan-2-yloxan-4-one
CID 91590346
(3R,6Z,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 24836956

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propan-2-ylcyclopentane-1,3-dione?
The IUPAC name of 2-amino-4-propan-2-ylcyclopentane-1,3-dione (CID 134565143) is 2-amino-4-propan-2-ylcyclopentane-1,3-dione.
What is the SMILES notation for 2-amino-4-propan-2-ylcyclopentane-1,3-dione?
The canonical SMILES for 2-amino-4-propan-2-ylcyclopentane-1,3-dione is CC(C)C1CC(=O)C(N)C1=O.
What is the InChIKey of 2-amino-4-propan-2-ylcyclopentane-1,3-dione?
The InChIKey is SERRATNSYDLQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4(2)5-3-6(10)7(9)8(5)11/h4-5,7H,3,9H2,1-2H3.
What are the key properties of 2-amino-4-propan-2-ylcyclopentane-1,3-dione?
2-amino-4-propan-2-ylcyclopentane-1,3-dione has a molecular weight of 155.20 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propan-2-ylcyclopentane-1,3-dione is sourced from PubChem (CID 134565143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).