2-benzyloxane-2-carbonitrile

C13H15NO — CID 12030268

IUPAC2-benzyloxane-2-carbonitrile
SMILESN#CC1(Cc2ccccc2)CCCCO1
InChIInChI=1S/C13H15NO/c14-11-13(8-4-5-9-15-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2
InChIKeyBTWDWSCLVNSMQS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.69
Rot. Bonds2

About 2-benzyloxane-2-carbonitrile

2-benzyloxane-2-carbonitrile (PubChem CID 12030268) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-benzyloxane-2-carbonitrile.

Molecular Properties

Compound Name2-benzyloxane-2-carbonitrile
PubChem CID12030268
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-benzyloxane-2-carbonitrile
SMILESN#CC1(Cc2ccccc2)CCCCO1
InChIInChI=1S/C13H15NO/c14-11-13(8-4-5-9-15-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2
InChIKeyBTWDWSCLVNSMQS-UHFFFAOYSA-N
XLogP2.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-benzyloxan-2-yl)silane
CID 123186626
2-benzyloxane-2-carboxylic acid
CID 12030266
hydron;[2-[2-phenyl-1-(2-silyloxan-2-yl)ethyl]oxan-2-yl]silane
CID 174558999
(3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]
CID 155936191
(2-benzyloxolan-2-yl)methanol
CID 126987678
(2-benzyloxolan-2-yl)methanamine
CID 84772073
1-benzyl-4-oxocyclohexane-1-carbonitrile
CID 21433648
2-benzyloxolane-2-carboxylic acid
CID 18467992
1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
CID 71444781
1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377832
1,4-dioxaspiro[4.5]decane;phenylmethanamine
CID 143618966

Frequently Asked Questions

What is the IUPAC name of 2-benzyloxane-2-carbonitrile?
The IUPAC name of 2-benzyloxane-2-carbonitrile (CID 12030268) is 2-benzyloxane-2-carbonitrile.
What is the SMILES notation for 2-benzyloxane-2-carbonitrile?
The canonical SMILES for 2-benzyloxane-2-carbonitrile is N#CC1(Cc2ccccc2)CCCCO1.
What is the InChIKey of 2-benzyloxane-2-carbonitrile?
The InChIKey is BTWDWSCLVNSMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-11-13(8-4-5-9-15-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 2-benzyloxane-2-carbonitrile?
2-benzyloxane-2-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyloxane-2-carbonitrile is sourced from PubChem (CID 12030268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).