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

C10H14N2O3 — CID 114513836

IUPAC3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
SMILESNC(=O)CCN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C10H14N2O3/c11-8(13)4-5-12-9(14)6-2-1-3-7(6)10(12)15/h6-7H,1-5H2,(H2,11,13)
InChIKeyKFJOEHFVXZIHFX-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.35
Rot. Bonds3

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

3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide (PubChem CID 114513836) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
PubChem CID114513836
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
SMILESNC(=O)CCN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C10H14N2O3/c11-8(13)4-5-12-9(14)6-2-1-3-7(6)10(12)15/h6-7H,1-5H2,(H2,11,13)
InChIKeyKFJOEHFVXZIHFX-UHFFFAOYSA-N
XLogP-0.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.35
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 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide?
The IUPAC name of 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide (CID 114513836) is 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide is NC(=O)CCN1C(=O)C2CCCC2C1=O.
What is the InChIKey of 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide?
The InChIKey is KFJOEHFVXZIHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-8(13)4-5-12-9(14)6-2-1-3-7(6)10(12)15/h6-7H,1-5H2,(H2,11,13).
What are the key properties of 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide?
3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide has a molecular weight of 210.23 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide is sourced from PubChem (CID 114513836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).