1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione

C14H19NO3 — CID 11402427

IUPAC1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CCCC2=CC(O)CC2)C1=O
InChIInChI=1S/C14H19NO3/c1-9-10(2)14(18)15(13(9)17)7-3-4-11-5-6-12(16)8-11/h8,12,16H,3-7H2,1-2H3
InChIKeyLTQCDOOJOVVMBH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.55
Rot. Bonds4

About 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione

1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 11402427) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID11402427
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CCCC2=CC(O)CC2)C1=O
InChIInChI=1S/C14H19NO3/c1-9-10(2)14(18)15(13(9)17)7-3-4-11-5-6-12(16)8-11/h8,12,16H,3-7H2,1-2H3
InChIKeyLTQCDOOJOVVMBH-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one
CID 101422133
1-(bromomethyl)-3-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 141085899
(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide
CID 10060932
(E)-3-butyl-7-hydroxy-1-pyrrolidin-1-yldodec-2-en-1-one
CID 10314144
1-[2-(cyclohex-1-en-1-yl)ethyl]-5-hydroxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 16478150
(2R)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 41168205
(2S)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 41168206
(E)-3-butyl-4-hydroxy-1-piperidin-1-ylhept-2-en-1-one
CID 101613959

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione (CID 11402427) is 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(CCCC2=CC(O)CC2)C1=O.
What is the InChIKey of 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is LTQCDOOJOVVMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-10(2)14(18)15(13(9)17)7-3-4-11-5-6-12(16)8-11/h8,12,16H,3-7H2,1-2H3.
What are the key properties of 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione?
1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 249.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxycyclopenten-1-yl)propyl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 11402427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).