3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile

C11H12N2O2 — CID 63705014

IUPAC3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
SMILESN#Cc1cccc(OC2CNCC2O)c1
InChIInChI=1S/C11H12N2O2/c12-5-8-2-1-3-9(4-8)15-11-7-13-6-10(11)14/h1-4,10-11,13-14H,6-7H2
InChIKeyFCKFHALDKWSJTO-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.27
Rot. Bonds2

About 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile

3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile (PubChem CID 63705014) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
PubChem CID63705014
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
SMILESN#Cc1cccc(OC2CNCC2O)c1
InChIInChI=1S/C11H12N2O2/c12-5-8-2-1-3-9(4-8)15-11-7-13-6-10(11)14/h1-4,10-11,13-14H,6-7H2
InChIKeyFCKFHALDKWSJTO-UHFFFAOYSA-N
XLogP0.27
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R,4R)-3-fluoropiperidin-4-yl]oxybenzonitrile
CID 129278036
4-(3-ethoxyphenoxy)pyrrolidin-3-ol
CID 63704227
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255
3-(azetidin-3-yloxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 166747193
3-piperidin-3-yloxybenzonitrile
CID 22309128
4-[3-(methoxymethyl)phenoxy]pyrrolidin-3-ol
CID 63986575
3-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292493
4-(4-iodophenoxy)pyrrolidin-3-ol
CID 63702649
3-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052718
4-(2,6-dichlorophenoxy)pyrrolidin-3-ol
CID 13320223
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-ol
CID 67294277

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile?
The IUPAC name of 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile (CID 63705014) is 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile.
What is the SMILES notation for 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile?
The canonical SMILES for 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile is N#Cc1cccc(OC2CNCC2O)c1.
What is the InChIKey of 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile?
The InChIKey is FCKFHALDKWSJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-5-8-2-1-3-9(4-8)15-11-7-13-6-10(11)14/h1-4,10-11,13-14H,6-7H2.
What are the key properties of 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile?
3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile is sourced from PubChem (CID 63705014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).