2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile

C14H11N3O2 — CID 75402499

IUPAC2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2C(=O)CCC2=O)cn2ccccc12
InChIInChI=1S/C14H11N3O2/c15-7-11-10(8-16-6-2-1-3-12(11)16)9-17-13(18)4-5-14(17)19/h1-3,6,8H,4-5,9H2
InChIKeyXDTLPXIZPYBKJT-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.46
Rot. Bonds2

About 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile

2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile (PubChem CID 75402499) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile
PubChem CID75402499
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2C(=O)CCC2=O)cn2ccccc12
InChIInChI=1S/C14H11N3O2/c15-7-11-10(8-16-6-2-1-3-12(11)16)9-17-13(18)4-5-14(17)19/h1-3,6,8H,4-5,9H2
InChIKeyXDTLPXIZPYBKJT-UHFFFAOYSA-N
XLogP1.46
TPSA65.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile (CID 75402499) is 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile is N#Cc1c(CN2C(=O)CCC2=O)cn2ccccc12.
What is the InChIKey of 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile?
The InChIKey is XDTLPXIZPYBKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-7-11-10(8-16-6-2-1-3-12(11)16)9-17-13(18)4-5-14(17)19/h1-3,6,8H,4-5,9H2.
What are the key properties of 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile?
2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile has a molecular weight of 253.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrolidin-1-yl)methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 75402499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).