3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile

C19H18N2O2 — CID 51190549

IUPAC3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H18N2O2/c20-13-16-4-3-5-18(12-16)23-14-15-6-8-17(9-7-15)19(22)21-10-1-2-11-21/h3-9,12H,1-2,10-11,14H2
InChIKeyXYUKYCKLPIJHRA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.37
Rot. Bonds4

About 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile

3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile (PubChem CID 51190549) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
PubChem CID51190549
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1cccc(OCc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C19H18N2O2/c20-13-16-4-3-5-18(12-16)23-14-15-6-8-17(9-7-15)19(22)21-10-1-2-11-21/h3-9,12H,1-2,10-11,14H2
InChIKeyXYUKYCKLPIJHRA-UHFFFAOYSA-N
XLogP3.37
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885
4-[(3S)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900771
4-[(3-cyanophenoxy)methyl]-2-fluorobenzoic acid
CID 106698261
(4-ethyl-1,4-diazepan-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 134813184
3-[1-(3-methoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]oxybenzonitrile
CID 86892097
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
ethyl 4-[4-[(3-methylphenoxy)methyl]benzoyl]piperazine-1-carboxylate
CID 2976842
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile?
The IUPAC name of 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile (CID 51190549) is 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile.
What is the SMILES notation for 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile?
The canonical SMILES for 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile is N#Cc1cccc(OCc2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile?
The InChIKey is XYUKYCKLPIJHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-13-16-4-3-5-18(12-16)23-14-15-6-8-17(9-7-15)19(22)21-10-1-2-11-21/h3-9,12H,1-2,10-11,14H2.
What are the key properties of 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile?
3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile is sourced from PubChem (CID 51190549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).