1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione

C10H16N2O3 — CID 121263271

IUPAC1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione
SMILESCCCNC(O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h3-4,8,11,13H,2,5-7H2,1H3
InChIKeyBBMQZBUIDHBLAD-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.38
Rot. Bonds6

About 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione

1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione (PubChem CID 121263271) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione
PubChem CID121263271
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione
SMILESCCCNC(O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h3-4,8,11,13H,2,5-7H2,1H3
InChIKeyBBMQZBUIDHBLAD-UHFFFAOYSA-N
XLogP-0.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[bis(1-hydroxyethyl)amino]propyl]prop-2-enamide
CID 9855905
3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60134414
3-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)propanamide
CID 69886070
4-(2,5-dioxopyrrol-1-yl)-N-(3-hydroxypropyl)butanamide
CID 70834289
N-(1-hydroxypropyl)prop-2-enamide
CID 87194576
N-[3-(dimethylamino)-3-hydroxypropyl]prop-2-enamide
CID 88608729
1-[6-Hydroxy-6-(methylamino)hexyl]pyrrole-2,5-dione
CID 91103961
3-(2,5-dioxopyrrol-1-yl)-N-(hydroxymethyl)propanamide
CID 118358014
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydroxypropanoylamino)ethyl]propanamide
CID 118681514
3-Hydroxybutyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 124147072
3-(2,5-dioxopyrrol-1-yl)-N-(4-hydroxybutan-2-yl)propanamide
CID 126589446
1-(3-amino-3-hydroxypropyl)-2-hydroxy-2H-pyrrol-5-one
CID 126589528

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione (CID 121263271) is 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione is CCCNC(O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione?
The InChIKey is BBMQZBUIDHBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h3-4,8,11,13H,2,5-7H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione?
1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(propylamino)propyl]pyrrole-2,5-dione is sourced from PubChem (CID 121263271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).