5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile

C16H15N3O2 — CID 115652501

IUPAC5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile
SMILESCC(=O)N1CCc2cc(NCc3ccc(C#N)o3)ccc21
InChIInChI=1S/C16H15N3O2/c1-11(20)19-7-6-12-8-13(2-5-16(12)19)18-10-15-4-3-14(9-17)21-15/h2-5,8,18H,6-7,10H2,1H3
InChIKeyRHFSMYCYRODWRH-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.67
Rot. Bonds3

About 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile

5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile (PubChem CID 115652501) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile
PubChem CID115652501
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile
SMILESCC(=O)N1CCc2cc(NCc3ccc(C#N)o3)ccc21
InChIInChI=1S/C16H15N3O2/c1-11(20)19-7-6-12-8-13(2-5-16(12)19)18-10-15-4-3-14(9-17)21-15/h2-5,8,18H,6-7,10H2,1H3
InChIKeyRHFSMYCYRODWRH-UHFFFAOYSA-N
XLogP2.67
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 107234999
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 115682421
1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684646
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile (CID 115652501) is 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile is CC(=O)N1CCc2cc(NCc3ccc(C#N)o3)ccc21.
What is the InChIKey of 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile?
The InChIKey is RHFSMYCYRODWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11(20)19-7-6-12-8-13(2-5-16(12)19)18-10-15-4-3-14(9-17)21-15/h2-5,8,18H,6-7,10H2,1H3.
What are the key properties of 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile?
5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).