2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride

C19H21ClN2O2 — CID 22355469

IUPAC2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride
SMILESCc1cc2c(c3c1N(Cc1ccccc1)C(=O)C3)OC(CN)C2.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-12-7-14-8-15(10-20)23-19(14)16-9-17(22)21(18(12)16)11-13-5-3-2-4-6-13;/h2-7,15H,8-11,20H2,1H3;1H
InChIKeyRPDVWYFSMJXABK-UHFFFAOYSA-N
MW344.84 g/mol
LogP2.77
Rot. Bonds3

About 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride

2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride (PubChem CID 22355469) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride
PubChem CID22355469
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride
SMILESCc1cc2c(c3c1N(Cc1ccccc1)C(=O)C3)OC(CN)C2.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-12-7-14-8-15(10-20)23-19(14)16-9-17(22)21(18(12)16)11-13-5-3-2-4-6-13;/h2-7,15H,8-11,20H2,1H3;1H
InChIKeyRPDVWYFSMJXABK-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride (CID 22355469) is 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride is Cc1cc2c(c3c1N(Cc1ccccc1)C(=O)C3)OC(CN)C2.Cl.
What is the InChIKey of 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride?
The InChIKey is RPDVWYFSMJXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.ClH/c1-12-7-14-8-15(10-20)23-19(14)16-9-17(22)21(18(12)16)11-13-5-3-2-4-6-13;/h2-7,15H,8-11,20H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride?
2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride is sourced from PubChem (CID 22355469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).