N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide

C12H15N3O — CID 62199049

IUPACN-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide
SMILESNN/C(=N\C1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H15N3O/c13-15-12(14-10-2-3-10)9-1-4-11-8(7-9)5-6-16-11/h1,4,7,10H,2-3,5-6,13H2,(H,14,15)
InChIKeyUWXJAINQCXNUNA-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.99
Rot. Bonds2

About N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide

N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide (PubChem CID 62199049) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide
PubChem CID62199049
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide
SMILESNN/C(=N\C1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H15N3O/c13-15-12(14-10-2-3-10)9-1-4-11-8(7-9)5-6-16-11/h1,4,7,10H,2-3,5-6,13H2,(H,14,15)
InChIKeyUWXJAINQCXNUNA-UHFFFAOYSA-N
XLogP0.99
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide (CID 62199049) is N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide is NN/C(=N\C1CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide?
The InChIKey is UWXJAINQCXNUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-15-12(14-10-2-3-10)9-1-4-11-8(7-9)5-6-16-11/h1,4,7,10H,2-3,5-6,13H2,(H,14,15).
What are the key properties of N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide?
N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide has a molecular weight of 217.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 62199049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).