[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride

C15H17ClN2O3 — CID 126767960

IUPAC[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccc(CN)o1.Cl
InChIInChI=1S/C15H16N2O3.ClH/c1-19-11-2-4-13-10(8-11)6-7-17(13)15(18)14-5-3-12(9-16)20-14;/h2-5,8H,6-7,9,16H2,1H3;1H
InChIKeySZKABYOFHGTLJC-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.37
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride

[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride (PubChem CID 126767960) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
PubChem CID126767960
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccc(CN)o1.Cl
InChIInChI=1S/C15H16N2O3.ClH/c1-19-11-2-4-13-10(8-11)6-7-17(13)15(18)14-5-3-12(9-16)20-14;/h2-5,8H,6-7,9,16H2,1H3;1H
InChIKeySZKABYOFHGTLJC-UHFFFAOYSA-N
XLogP2.37
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
[5-(2-amino-4-methoxyphenyl)furan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 91679646
[2-(aminomethyl)-1,3-thiazol-4-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760441
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
CID 122143793

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride (CID 126767960) is [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride is COc1ccc2c(c1)CCN2C(=O)c1ccc(CN)o1.Cl.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The InChIKey is SZKABYOFHGTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3.ClH/c1-19-11-2-4-13-10(8-11)6-7-17(13)15(18)14-5-3-12(9-16)20-14;/h2-5,8H,6-7,9,16H2,1H3;1H.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride?
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride has a molecular weight of 308.77 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 126767960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).