3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one

C11H17NO2 — CID 114630237

IUPAC3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one
SMILESCC1(C)C(O)CC1NC1=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-11(2)9(6-10(11)14)12-7-3-4-8(13)5-7/h5,9-10,12,14H,3-4,6H2,1-2H3
InChIKeyVZVXVLXIXRSDAA-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.98
Rot. Bonds2

About 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one

3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one (PubChem CID 114630237) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one
PubChem CID114630237
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one
SMILESCC1(C)C(O)CC1NC1=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-11(2)9(6-10(11)14)12-7-3-4-8(13)5-7/h5,9-10,12,14H,3-4,6H2,1-2H3
InChIKeyVZVXVLXIXRSDAA-UHFFFAOYSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethylcyclohexyl)amino]cyclopent-2-en-1-one
CID 104788621
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633168
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632994
3-[(3,5-dimethylcyclohexyl)amino]cyclopent-2-en-1-one
CID 104788564
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 112633246
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
CID 112633693
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylisoindole-1,3-dione
CID 115972133
2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
CID 112633298
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one (CID 114630237) is 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one is CC1(C)C(O)CC1NC1=CC(=O)CC1.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one?
The InChIKey is VZVXVLXIXRSDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2)9(6-10(11)14)12-7-3-4-8(13)5-7/h5,9-10,12,14H,3-4,6H2,1-2H3.
What are the key properties of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one?
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 114630237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).