2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one

C7H11NO2 — CID 20726508

IUPAC2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one
SMILESCC1(C)CC(=O)C(N)=C1O
InChIInChI=1S/C7H11NO2/c1-7(2)3-4(9)5(8)6(7)10/h10H,3,8H2,1-2H3
InChIKeySJWIYWWRNGORTO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.71
Rot. Bonds

About 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one

2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one (PubChem CID 20726508) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one
PubChem CID20726508
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one
SMILESCC1(C)CC(=O)C(N)=C1O
InChIInChI=1S/C7H11NO2/c1-7(2)3-4(9)5(8)6(7)10/h10H,3,8H2,1-2H3
InChIKeySJWIYWWRNGORTO-UHFFFAOYSA-N
XLogP0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione;methane
CID 143210953
5,6-dihydroxy-3,3,4,7-tetramethyl-2H-inden-1-one
CID 91518429
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
2-iodo-4,4-dimethylcyclopent-2-en-1-one
CID 22002644
3-(15-hydroxypentadecyl)-2,4,4-trimethylcyclopent-2-en-1-one
CID 162724302
3-(12-hydroxydodecyl)-2,4,4-trimethylcyclopent-2-en-1-one
CID 162724276
(5R)-5-hydroxy-2,3,5-trimethylcyclohex-2-ene-1,4-dione
CID 170009983
4-tert-butyl-2,6,6-trimethylcyclohexa-1,3-dien-1-ol
CID 159996708
3,3,4,5,6,7-hexamethyl-2H-inden-1-one
CID 22946125
(2E)-3-hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-2-en-1-ylidene)-5,5-dimethylcyclohex-3-en-1-one
CID 138961452
trans-(2S,5S)-2,5-dihydroxy-2,5-dimethylcyclohexane-1,4-dione
CID 97161679
2-methyl-4-oxo-1,3-dihydronaphthalene-2-carboxylic acid
CID 12822852

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one (CID 20726508) is 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one is CC1(C)CC(=O)C(N)=C1O.
What is the InChIKey of 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one?
The InChIKey is SJWIYWWRNGORTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(2)3-4(9)5(8)6(7)10/h10H,3,8H2,1-2H3.
What are the key properties of 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one?
2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one has a molecular weight of 141.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-4,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 20726508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).