3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione

C12H19NO3 — CID 174864826

IUPAC3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione
SMILESCCCC=CC1(CCCO)CC(=O)NC1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-6-12(7-5-8-14)9-10(15)13-11(12)16/h4,6,14H,2-3,5,7-9H2,1H3,(H,13,15,16)
InChIKeySRCMFRPZZBZLON-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds6

About 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione

3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione (PubChem CID 174864826) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione
PubChem CID174864826
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione
SMILESCCCC=CC1(CCCO)CC(=O)NC1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-6-12(7-5-8-14)9-10(15)13-11(12)16/h4,6,14H,2-3,5,7-9H2,1H3,(H,13,15,16)
InChIKeySRCMFRPZZBZLON-UHFFFAOYSA-N
XLogP1.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
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

CID 17802164
CID 17802164
CID 67646686
CID 67646686
CID 69632058
CID 69632058
CID 70522288
CID 70522288
CID 70522295
CID 70522295
CID 141055001
CID 141055001
CID 150959526
CID 150959526
CID 174864859
CID 174864859
CID 174865206
CID 174865206
CID 179107533
CID 179107533
CID 313860
CID 313860
CID 54590670
CID 54590670

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione (CID 174864826) is 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione is CCCC=CC1(CCCO)CC(=O)NC1=O.
What is the InChIKey of 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione?
The InChIKey is SRCMFRPZZBZLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-4-6-12(7-5-8-14)9-10(15)13-11(12)16/h4,6,14H,2-3,5,7-9H2,1H3,(H,13,15,16).
What are the key properties of 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione?
3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-3-pent-1-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 174864826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).