1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one

C11H13N3O — CID 145225076

IUPAC1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one
SMILES[H]/N=C(\C(C)=O)c1cc(C2CC2)cnc1N
InChIInChI=1S/C11H13N3O/c1-6(15)10(12)9-4-8(7-2-3-7)5-14-11(9)13/h4-5,7,12H,2-3H2,1H3,(H2,13,14)/b12-10+
InChIKeyDLOAADKLVOVZHK-ZRDIBKRKSA-N
MW203.24 g/mol
LogP1.50
Rot. Bonds3

About 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one

1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one (PubChem CID 145225076) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one.

Molecular Properties

Compound Name1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one
PubChem CID145225076
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one
SMILES[H]/N=C(\C(C)=O)c1cc(C2CC2)cnc1N
InChIInChI=1S/C11H13N3O/c1-6(15)10(12)9-4-8(7-2-3-7)5-14-11(9)13/h4-5,7,12H,2-3H2,1H3,(H2,13,14)/b12-10+
InChIKeyDLOAADKLVOVZHK-ZRDIBKRKSA-N
XLogP1.50
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one?
The IUPAC name of 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one (CID 145225076) is 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one.
What is the SMILES notation for 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one?
The canonical SMILES for 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one is [H]/N=C(\C(C)=O)c1cc(C2CC2)cnc1N.
What is the InChIKey of 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one?
The InChIKey is DLOAADKLVOVZHK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6(15)10(12)9-4-8(7-2-3-7)5-14-11(9)13/h4-5,7,12H,2-3H2,1H3,(H2,13,14)/b12-10+.
What are the key properties of 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one?
1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-cyclopropyl-3-pyridinyl)-1-iminopropan-2-one is sourced from PubChem (CID 145225076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).