1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine

C13H16N2O — CID 62232656

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1Cc2ccccc2O1
InChIInChI=1S/C13H16N2O/c14-13-6-3-7-15(13)9-11-8-10-4-1-2-5-12(10)16-11/h1-2,4-5,11,14H,3,6-9H2/b14-13+
InChIKeyVNNNULBUFYSNPQ-BUHFOSPRSA-N
MW216.28 g/mol
LogP2.06
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine (PubChem CID 62232656) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine
PubChem CID62232656
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1Cc2ccccc2O1
InChIInChI=1S/C13H16N2O/c14-13-6-3-7-15(13)9-11-8-10-4-1-2-5-12(10)16-11/h1-2,4-5,11,14H,3,6-9H2/b14-13+
InChIKeyVNNNULBUFYSNPQ-BUHFOSPRSA-N
XLogP2.06
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine (CID 62232656) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine?
The InChIKey is VNNNULBUFYSNPQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H16N2O/c14-13-6-3-7-15(13)9-11-8-10-4-1-2-5-12(10)16-11/h1-2,4-5,11,14H,3,6-9H2/b14-13+.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine has a molecular weight of 216.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine is sourced from PubChem (CID 62232656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).