(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C12H20N2O2 — CID 102780576

IUPAC(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2C=CC(N)C2)C1CO
InChIInChI=1S/C12H20N2O2/c1-8-4-5-14(11(8)7-15)12(16)9-2-3-10(13)6-9/h2-3,8-11,15H,4-7,13H2,1H3
InChIKeyYXLCUXONZFPIPT-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.12
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102780576) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102780576
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2C=CC(N)C2)C1CO
InChIInChI=1S/C12H20N2O2/c1-8-4-5-14(11(8)7-15)12(16)9-2-3-10(13)6-9/h2-3,8-11,15H,4-7,13H2,1H3
InChIKeyYXLCUXONZFPIPT-UHFFFAOYSA-N
XLogP0.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102780576) is (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)C2C=CC(N)C2)C1CO.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is YXLCUXONZFPIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-4-5-14(11(8)7-15)12(16)9-2-3-10(13)6-9/h2-3,8-11,15H,4-7,13H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 224.30 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102780576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).