1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide

C14H14N2O3 — CID 21441264

IUPAC1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1
InChIInChI=1S/C14H14N2O3/c15-13(19)14(7-3-4-8-14)16-11(17)9-5-1-2-6-10(9)12(16)18/h1-2,5-6H,3-4,7-8H2,(H2,15,19)
InChIKeyKYEFOESGLYKJLH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.08
Rot. Bonds2

About 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide

1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide (PubChem CID 21441264) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide
PubChem CID21441264
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1
InChIInChI=1S/C14H14N2O3/c15-13(19)14(7-3-4-8-14)16-11(17)9-5-1-2-6-10(9)12(16)18/h1-2,5-6H,3-4,7-8H2,(H2,15,19)
InChIKeyKYEFOESGLYKJLH-UHFFFAOYSA-N
XLogP1.08
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-sulfanylcyclohexyl)isoindole-1,3-dione
CID 88768077
6,13-bis(1-acetylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 139077325
butyl 1-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylate
CID 86677371
(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
CID 142436740
(2S)-2-(1,3-dioxoisoindol-2-yl)spiro[2.2]pentane-2-carboxylic acid
CID 175815475
1-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 70206323
8-benzyl-8-azabicyclo[3.2.1]octane-1-carboxamide
CID 91101325
2-O-(1,3-dioxoisoindol-2-yl) 1-O-(1-methylcyclohexyl) oxalate
CID 102587184
2-[(2S)-1-hydroxy-2-(hydroxymethyl)pyrrolidin-2-yl]isoindole-1,3-dione
CID 67091098
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
ethyl (E)-3-[1-(1,3-dioxoisoindol-2-yl)cyclopropyl]prop-2-enoate
CID 162351471
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
CID 64686613

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide (CID 21441264) is 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide is NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1.
What is the InChIKey of 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is KYEFOESGLYKJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-13(19)14(7-3-4-8-14)16-11(17)9-5-1-2-6-10(9)12(16)18/h1-2,5-6H,3-4,7-8H2,(H2,15,19).
What are the key properties of 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide?
1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 21441264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).