3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one

C11H17NO2 — CID 104788576

IUPAC3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one
SMILESO=C1C=C(NCC2(O)CCCC2)CC1
InChIInChI=1S/C11H17NO2/c13-10-4-3-9(7-10)12-8-11(14)5-1-2-6-11/h7,12,14H,1-6,8H2
InChIKeyHJADQYVRBBIKQX-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.13
Rot. Bonds3

About 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one

3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one (PubChem CID 104788576) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one
PubChem CID104788576
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one
SMILESO=C1C=C(NCC2(O)CCCC2)CC1
InChIInChI=1S/C11H17NO2/c13-10-4-3-9(7-10)12-8-11(14)5-1-2-6-11/h7,12,14H,1-6,8H2
InChIKeyHJADQYVRBBIKQX-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylcyclopentyl)methylamino]cyclopent-2-en-1-one
CID 104788518
3-[(1-hydroxycyclopentyl)methyl-methylamino]cyclopent-2-en-1-one
CID 114949935
3-(2-oxopropylamino)cyclohex-2-en-1-one
CID 86092292
N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide
CID 104788236
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
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1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol
CID 126846856
3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one
CID 115677846
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
CID 65274526
1-[(3,5-dimethoxyanilino)methyl]cycloheptan-1-ol
CID 60896943
3-(decylamino)cyclopent-2-en-1-one
CID 113453186

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one (CID 104788576) is 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one is O=C1C=C(NCC2(O)CCCC2)CC1.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one?
The InChIKey is HJADQYVRBBIKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-4-3-9(7-10)12-8-11(14)5-1-2-6-11/h7,12,14H,1-6,8H2.
What are the key properties of 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one?
3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclopentyl)methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).