1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile

C15H21N3O2 — CID 114392229

IUPAC1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile
SMILESCC1CC2C(=O)N(C3(C#N)CCN(C)CC3)C(=O)C2C1
InChIInChI=1S/C15H21N3O2/c1-10-7-11-12(8-10)14(20)18(13(11)19)15(9-16)3-5-17(2)6-4-15/h10-12H,3-8H2,1-2H3
InChIKeyBLWYVWONQHISNH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.01
Rot. Bonds1

About 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile

1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile (PubChem CID 114392229) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile
PubChem CID114392229
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile
SMILESCC1CC2C(=O)N(C3(C#N)CCN(C)CC3)C(=O)C2C1
InChIInChI=1S/C15H21N3O2/c1-10-7-11-12(8-10)14(20)18(13(11)19)15(9-16)3-5-17(2)6-4-15/h10-12H,3-8H2,1-2H3
InChIKeyBLWYVWONQHISNH-UHFFFAOYSA-N
XLogP1.01
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.01
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 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile (CID 114392229) is 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile is CC1CC2C(=O)N(C3(C#N)CCN(C)CC3)C(=O)C2C1.
What is the InChIKey of 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile?
The InChIKey is BLWYVWONQHISNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-7-11-12(8-10)14(20)18(13(11)19)15(9-16)3-5-17(2)6-4-15/h10-12H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile?
1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile has a molecular weight of 275.35 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 114392229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).