1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile

C16H19NO — CID 79130898

IUPAC1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESN#CC1(C2(O)CCCC2)CCCc2ccccc21
InChIInChI=1S/C16H19NO/c17-12-15(16(18)10-3-4-11-16)9-5-7-13-6-1-2-8-14(13)15/h1-2,6,8,18H,3-5,7,9-11H2
InChIKeyVNRLTRYLOAJLHL-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.09
Rot. Bonds1

About 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile

1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 79130898) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID79130898
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESN#CC1(C2(O)CCCC2)CCCc2ccccc21
InChIInChI=1S/C16H19NO/c17-12-15(16(18)10-3-4-11-16)9-5-7-13-6-1-2-8-14(13)15/h1-2,6,8,18H,3-5,7,9-11H2
InChIKeyVNRLTRYLOAJLHL-UHFFFAOYSA-N
XLogP3.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79842173
1-(3-hydroxypiperidin-3-yl)-2,3-dihydroindene-1-carbonitrile
CID 79129399
1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79130011
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)-2,3-dihydroindene-1-carbonitrile
CID 79123347
5-ethenyl-5-hydroxy-6-methyl-8,9-dihydro-7H-benzo[7]annulene-6-carbonitrile
CID 11085522
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 102249674
1-(1-hydroxy-3-methoxy-2-methylpropyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 116503426
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 11311149

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 79130898) is 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile is N#CC1(C2(O)CCCC2)CCCc2ccccc21.
What is the InChIKey of 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is VNRLTRYLOAJLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c17-12-15(16(18)10-3-4-11-16)9-5-7-13-6-1-2-8-14(13)15/h1-2,6,8,18H,3-5,7,9-11H2.
What are the key properties of 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 241.33 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 79130898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).