5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile

C19H20N2O — CID 69450818

IUPAC5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)o1
InChIInChI=1S/C19H20N2O/c20-13-18-6-7-19(22-18)16-5-4-14-8-10-21(17-2-1-3-17)11-9-15(14)12-16/h4-7,12,17H,1-3,8-11H2
InChIKeyDBNZHTUVQFANLF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.77
Rot. Bonds2

About 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile

5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile (PubChem CID 69450818) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile
PubChem CID69450818
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)o1
InChIInChI=1S/C19H20N2O/c20-13-18-6-7-19(22-18)16-5-4-14-8-10-21(17-2-1-3-17)11-9-15(14)12-16/h4-7,12,17H,1-3,8-11H2
InChIKeyDBNZHTUVQFANLF-UHFFFAOYSA-N
XLogP3.77
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzonitrile
CID 58940734
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 58277899
3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
CID 143718969
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
6-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-(2-hydroxyethyl)pyridazin-3-one
CID 44540903
3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
CID 58940727
6-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-propan-2-ylpyridazin-3-one
CID 44540722
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylacetonitrilium
CID 90946663
3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
CID 69182070
6-bromo-2-cyclobutyl-3,4-dihydro-1H-isoquinoline
CID 84711609
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(fluoromethyl)benzamide
CID 91037243

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile?
The IUPAC name of 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile (CID 69450818) is 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile.
What is the SMILES notation for 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile?
The canonical SMILES for 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile is N#Cc1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)o1.
What is the InChIKey of 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile?
The InChIKey is DBNZHTUVQFANLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c20-13-18-6-7-19(22-18)16-5-4-14-8-10-21(17-2-1-3-17)11-9-15(14)12-16/h4-7,12,17H,1-3,8-11H2.
What are the key properties of 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile?
5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile has a molecular weight of 292.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)furan-2-carbonitrile is sourced from PubChem (CID 69450818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).