3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile

C15H16N2O2 — CID 63762536

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2C3CCC2CC(O)C3)c1
InChIInChI=1S/C15H16N2O2/c16-9-10-2-1-3-11(6-10)15(19)17-12-4-5-13(17)8-14(18)7-12/h1-3,6,12-14,18H,4-5,7-8H2
InChIKeyHJECCZFMJOXESA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.69
Rot. Bonds1

About 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile

3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile (PubChem CID 63762536) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile
PubChem CID63762536
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2C3CCC2CC(O)C3)c1
InChIInChI=1S/C15H16N2O2/c16-9-10-2-1-3-11(6-10)15(19)17-12-4-5-13(17)8-14(18)7-12/h1-3,6,12-14,18H,4-5,7-8H2
InChIKeyHJECCZFMJOXESA-UHFFFAOYSA-N
XLogP1.69
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile
CID 63763140
3-[3-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]benzonitrile
CID 131639100
3-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)benzonitrile
CID 90627106
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzenecarbothioamide
CID 63769125
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 63762528
[3-(dimethylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63762514
3-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 131657094
2-[2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]benzonitrile
CID 126811160
3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
CID 162628283
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
N-[(1R,5S)-8-(3-cyanobenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,4-dichlorophenoxy)-2-methylpropanamide
CID 67276159

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile (CID 63762536) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2C3CCC2CC(O)C3)c1.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile?
The InChIKey is HJECCZFMJOXESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-9-10-2-1-3-11(6-10)15(19)17-12-4-5-13(17)8-14(18)7-12/h1-3,6,12-14,18H,4-5,7-8H2.
What are the key properties of 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile?
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzonitrile is sourced from PubChem (CID 63762536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).