1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile

C19H25N — CID 80601961

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile
SMILESN#CC1(Cc2ccc3c(c2)CCC3)CCCCCCC1
InChIInChI=1S/C19H25N/c20-15-19(11-4-2-1-3-5-12-19)14-16-9-10-17-7-6-8-18(17)13-16/h9-10,13H,1-8,11-12,14H2
InChIKeyXENWVSIKHHRRJV-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.97
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile

1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile (PubChem CID 80601961) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile
PubChem CID80601961
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile
SMILESN#CC1(Cc2ccc3c(c2)CCC3)CCCCCCC1
InChIInChI=1S/C19H25N/c20-15-19(11-4-2-1-3-5-12-19)14-16-9-10-17-7-6-8-18(17)13-16/h9-10,13H,1-8,11-12,14H2
InChIKeyXENWVSIKHHRRJV-UHFFFAOYSA-N
XLogP4.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
CID 65423485
1-[(3,4-dimethylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80601404
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377832
1-[(4-hydroxyphenyl)methyl]cyclooctane-1-carbonitrile
CID 80602331
1-[(4-iodophenyl)methyl]cycloheptane-1-carbonitrile
CID 65491776
1-[(4-ethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65378669
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 107898503
1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65379302
1-[(4-iodophenyl)methyl]cyclopentane-1-carbonitrile
CID 65490985
1-[(3,5-dimethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65377840
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
1-[(4-nitrophenyl)methyl]cyclohexane-1-carbonitrile
CID 65379088

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile (CID 80601961) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile is N#CC1(Cc2ccc3c(c2)CCC3)CCCCCCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile?
The InChIKey is XENWVSIKHHRRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c20-15-19(11-4-2-1-3-5-12-19)14-16-9-10-17-7-6-8-18(17)13-16/h9-10,13H,1-8,11-12,14H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile?
1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile has a molecular weight of 267.42 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile is sourced from PubChem (CID 80601961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).