2-amino-2-(aminomethyl)cyclopentane-1,3-dione

C6H10N2O2 — CID 90989105

IUPAC2-amino-2-(aminomethyl)cyclopentane-1,3-dione
SMILESNCC1(N)C(=O)CCC1=O
InChIInChI=1S/C6H10N2O2/c7-3-6(8)4(9)1-2-5(6)10/h1-3,7-8H2
InChIKeyGHEOIANYYBJMGJ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.43
Rot. Bonds1

About 2-amino-2-(aminomethyl)cyclopentane-1,3-dione

2-amino-2-(aminomethyl)cyclopentane-1,3-dione (PubChem CID 90989105) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-amino-2-(aminomethyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-amino-2-(aminomethyl)cyclopentane-1,3-dione
PubChem CID90989105
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-amino-2-(aminomethyl)cyclopentane-1,3-dione
SMILESNCC1(N)C(=O)CCC1=O
InChIInChI=1S/C6H10N2O2/c7-3-6(8)4(9)1-2-5(6)10/h1-3,7-8H2
InChIKeyGHEOIANYYBJMGJ-UHFFFAOYSA-N
XLogP-1.43
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(aminomethyl)cyclopentane-1,3-dione?
The IUPAC name of 2-amino-2-(aminomethyl)cyclopentane-1,3-dione (CID 90989105) is 2-amino-2-(aminomethyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2-amino-2-(aminomethyl)cyclopentane-1,3-dione?
The canonical SMILES for 2-amino-2-(aminomethyl)cyclopentane-1,3-dione is NCC1(N)C(=O)CCC1=O.
What is the InChIKey of 2-amino-2-(aminomethyl)cyclopentane-1,3-dione?
The InChIKey is GHEOIANYYBJMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-3-6(8)4(9)1-2-5(6)10/h1-3,7-8H2.
What are the key properties of 2-amino-2-(aminomethyl)cyclopentane-1,3-dione?
2-amino-2-(aminomethyl)cyclopentane-1,3-dione has a molecular weight of 142.16 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(aminomethyl)cyclopentane-1,3-dione is sourced from PubChem (CID 90989105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).