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

C10H16N2O2 — CID 139516839

IUPAC(3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1C[C@@H]2C(=O)N(CCN)C(=O)[C@@H]2C1
InChIInChI=1S/C10H16N2O2/c1-6-4-7-8(5-6)10(14)12(3-2-11)9(7)13/h6-8H,2-5,11H2,1H3/t6?,7-,8+
InChIKeyYNLGTCMREKGSOT-IEESLHIDSA-N
MW196.25 g/mol
LogP-0.02
Rot. Bonds2

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

(3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 139516839) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name(3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID139516839
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1C[C@@H]2C(=O)N(CCN)C(=O)[C@@H]2C1
InChIInChI=1S/C10H16N2O2/c1-6-4-7-8(5-6)10(14)12(3-2-11)9(7)13/h6-8H,2-5,11H2,1H3/t6?,7-,8+
InChIKeyYNLGTCMREKGSOT-IEESLHIDSA-N
XLogP-0.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 139516839) is (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1C[C@@H]2C(=O)N(CCN)C(=O)[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is YNLGTCMREKGSOT-IEESLHIDSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-4-7-8(5-6)10(14)12(3-2-11)9(7)13/h6-8H,2-5,11H2,1H3/t6?,7-,8+.
What are the key properties of (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
(3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 196.25 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 139516839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).