3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

C12H13ClN2O — CID 13245213

IUPAC3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCl.NC1=NCC(c2cc3ccccc3o2)C1
InChIInChI=1S/C12H12N2O.ClH/c13-12-6-9(7-14-12)11-5-8-3-1-2-4-10(8)15-11;/h1-5,9H,6-7H2,(H2,13,14);1H
InChIKeyYJZFUDMBVVSAIA-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.70
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 13245213) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID13245213
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCl.NC1=NCC(c2cc3ccccc3o2)C1
InChIInChI=1S/C12H12N2O.ClH/c13-12-6-9(7-14-12)11-5-8-3-1-2-4-10(8)15-11;/h1-5,9H,6-7H2,(H2,13,14);1H
InChIKeyYJZFUDMBVVSAIA-UHFFFAOYSA-N
XLogP2.70
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 13245213) is 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is Cl.NC1=NCC(c2cc3ccccc3o2)C1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is YJZFUDMBVVSAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.ClH/c13-12-6-9(7-14-12)11-5-8-3-1-2-4-10(8)15-11;/h1-5,9H,6-7H2,(H2,13,14);1H.
What are the key properties of 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 13245213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).