1-(2-cyclononylpropyl)pyrrole-2,5-dione

C16H25NO2 — CID 123502903

IUPAC1-(2-cyclononylpropyl)pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)C1CCCCCCCC1
InChIInChI=1S/C16H25NO2/c1-13(12-17-15(18)10-11-16(17)19)14-8-6-4-2-3-5-7-9-14/h10-11,13-14H,2-9,12H2,1H3
InChIKeyABNOEFBNMHTLDL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.30
Rot. Bonds3

About 1-(2-cyclononylpropyl)pyrrole-2,5-dione

1-(2-cyclononylpropyl)pyrrole-2,5-dione (PubChem CID 123502903) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-cyclononylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclononylpropyl)pyrrole-2,5-dione
PubChem CID123502903
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-cyclononylpropyl)pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)C1CCCCCCCC1
InChIInChI=1S/C16H25NO2/c1-13(12-17-15(18)10-11-16(17)19)14-8-6-4-2-3-5-7-9-14/h10-11,13-14H,2-9,12H2,1H3
InChIKeyABNOEFBNMHTLDL-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2,5-dione
CID 63296638
1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
CID 157383581
1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione
CID 145259226
1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
CID 177094546
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
1-(2-cyclohexylethyl)pyrrole-2,5-dione
CID 60920082
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
1-(2-cyclohexylpropyl)pyrazol-4-amine
CID 165465103
butan-2-ylcyclohexadecane
CID 123713671
1-(2-cycloheptylpropyl)piperazine
CID 82509737
1-[(2R,3R)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 84820686
(2R)-2-cyclohexylpropan-1-ol
CID 10176192

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclononylpropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-cyclononylpropyl)pyrrole-2,5-dione (CID 123502903) is 1-(2-cyclononylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-cyclononylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-cyclononylpropyl)pyrrole-2,5-dione is CC(CN1C(=O)C=CC1=O)C1CCCCCCCC1.
What is the InChIKey of 1-(2-cyclononylpropyl)pyrrole-2,5-dione?
The InChIKey is ABNOEFBNMHTLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(12-17-15(18)10-11-16(17)19)14-8-6-4-2-3-5-7-9-14/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of 1-(2-cyclononylpropyl)pyrrole-2,5-dione?
1-(2-cyclononylpropyl)pyrrole-2,5-dione has a molecular weight of 263.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclononylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 123502903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).