2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C14H17N3O2 — CID 114513921

IUPAC2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCNc1ncccc1CN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C14H17N3O2/c1-15-12-9(4-3-7-16-12)8-17-13(18)10-5-2-6-11(10)14(17)19/h3-4,7,10-11H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyRMWBFIJVOCVQRV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.41
Rot. Bonds3

About 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513921) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513921
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCNc1ncccc1CN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C14H17N3O2/c1-15-12-9(4-3-7-16-12)8-17-13(18)10-5-2-6-11(10)14(17)19/h3-4,7,10-11H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyRMWBFIJVOCVQRV-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
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-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513921) is 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CNc1ncccc1CN1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is RMWBFIJVOCVQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-12-9(4-3-7-16-12)8-17-13(18)10-5-2-6-11(10)14(17)19/h3-4,7,10-11H,2,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 259.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-3-pyridinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).