N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide

C11H14N2O — CID 130500025

IUPACN'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide
SMILESCC/C(N)=N\c1ccc2c(c1)COC2
InChIInChI=1S/C11H14N2O/c1-2-11(12)13-10-4-3-8-6-14-7-9(8)5-10/h3-5H,2,6-7H2,1H3,(H2,12,13)
InChIKeyRWCLICHOFOQIOY-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.12
Rot. Bonds2

About N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide

N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide (PubChem CID 130500025) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide.

Molecular Properties

Compound NameN'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide
PubChem CID130500025
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide
SMILESCC/C(N)=N\c1ccc2c(c1)COC2
InChIInChI=1S/C11H14N2O/c1-2-11(12)13-10-4-3-8-6-14-7-9(8)5-10/h3-5H,2,6-7H2,1H3,(H2,12,13)
InChIKeyRWCLICHOFOQIOY-UHFFFAOYSA-N
XLogP2.12
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide?
The IUPAC name of N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide (CID 130500025) is N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide.
What is the SMILES notation for N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide?
The canonical SMILES for N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide is CC/C(N)=N\c1ccc2c(c1)COC2.
What is the InChIKey of N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide?
The InChIKey is RWCLICHOFOQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-11(12)13-10-4-3-8-6-14-7-9(8)5-10/h3-5H,2,6-7H2,1H3,(H2,12,13).
What are the key properties of N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide?
N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide has a molecular weight of 190.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide is sourced from PubChem (CID 130500025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).