5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide

C15H16N2O3 — CID 166299011

IUPAC5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide
SMILESNCc1cc(C(=O)NC2Cc3cccc(O)c3C2)co1
InChIInChI=1S/C15H16N2O3/c16-7-12-5-10(8-20-12)15(19)17-11-4-9-2-1-3-14(18)13(9)6-11/h1-3,5,8,11,18H,4,6-7,16H2,(H,17,19)
InChIKeyYBUNQHMRUTZQHL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.34
Rot. Bonds3

About 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide

5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide (PubChem CID 166299011) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide
PubChem CID166299011
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide
SMILESNCc1cc(C(=O)NC2Cc3cccc(O)c3C2)co1
InChIInChI=1S/C15H16N2O3/c16-7-12-5-10(8-20-12)15(19)17-11-4-9-2-1-3-14(18)13(9)6-11/h1-3,5,8,11,18H,4,6-7,16H2,(H,17,19)
InChIKeyYBUNQHMRUTZQHL-UHFFFAOYSA-N
XLogP1.34
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide (CID 166299011) is 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide is NCc1cc(C(=O)NC2Cc3cccc(O)c3C2)co1.
What is the InChIKey of 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide?
The InChIKey is YBUNQHMRUTZQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-7-12-5-10(8-20-12)15(19)17-11-4-9-2-1-3-14(18)13(9)6-11/h1-3,5,8,11,18H,4,6-7,16H2,(H,17,19).
What are the key properties of 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide?
5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide is sourced from PubChem (CID 166299011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).