1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile

C17H17NO — CID 79136807

IUPAC1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(O)c2ccc3ccccc3c2)CCCC1
InChIInChI=1S/C17H17NO/c18-12-17(9-3-4-10-17)16(19)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16,19H,3-4,9-10H2
InChIKeyKAZXZJJCBZMYKI-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.96
Rot. Bonds2

About 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile

1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile (PubChem CID 79136807) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile
PubChem CID79136807
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(O)c2ccc3ccccc3c2)CCCC1
InChIInChI=1S/C17H17NO/c18-12-17(9-3-4-10-17)16(19)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16,19H,3-4,9-10H2
InChIKeyKAZXZJJCBZMYKI-UHFFFAOYSA-N
XLogP3.96
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile (CID 79136807) is 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile is N#CC1(C(O)c2ccc3ccccc3c2)CCCC1.
What is the InChIKey of 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile?
The InChIKey is KAZXZJJCBZMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c18-12-17(9-3-4-10-17)16(19)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11,16,19H,3-4,9-10H2.
What are the key properties of 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile?
1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(naphthalen-2-yl)methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79136807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).