3-amino-N-cyclopropyl-3-selanylidenepropanamide

C6H9N2OSe — CID 156598288

IUPAC—
SMILES[H]/N=C(\[Se])CC(=O)NC1CC1
InChIInChI=1S/C6H9N2OSe/c7-5(10)3-6(9)8-4-1-2-4/h4,7H,1-3H2,(H,8,9)/b7-5-
InChIKeySHCQYXZYVHYNCX-ALCCZGGFSA-N
MW204.11 g/mol
LogP-0.20
Rot. Bonds3

About 3-amino-N-cyclopropyl-3-selanylidenepropanamide

3-amino-N-cyclopropyl-3-selanylidenepropanamide (PubChem CID 156598288) has the molecular formula C6H9N2OSe and a molecular weight of 204.11 g/mol.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-3-selanylidenepropanamide
PubChem CID156598288
Molecular FormulaC6H9N2OSe
Molecular Weight204.11 g/mol
Exact Mass204.99
IUPAC Name—
SMILES[H]/N=C(\[Se])CC(=O)NC1CC1
InChIInChI=1S/C6H9N2OSe/c7-5(10)3-6(9)8-4-1-2-4/h4,7H,1-3H2,(H,8,9)/b7-5-
InChIKeySHCQYXZYVHYNCX-ALCCZGGFSA-N
XLogP-0.20
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-3-selanylidenepropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-3-selanylidenepropanamide (CID 156598288) is not available.
What is the SMILES notation for 3-amino-N-cyclopropyl-3-selanylidenepropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-3-selanylidenepropanamide is [H]/N=C(\[Se])CC(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-3-selanylidenepropanamide?
The InChIKey is SHCQYXZYVHYNCX-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H9N2OSe/c7-5(10)3-6(9)8-4-1-2-4/h4,7H,1-3H2,(H,8,9)/b7-5-.
What are the key properties of 3-amino-N-cyclopropyl-3-selanylidenepropanamide?
3-amino-N-cyclopropyl-3-selanylidenepropanamide has a molecular weight of 204.11 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-3-selanylidenepropanamide is sourced from PubChem (CID 156598288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).