1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile

C14H14N2O2 — CID 114652751

IUPAC1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
SMILESCOc1ccccc1OCCn1cccc1C#N
InChIInChI=1S/C14H14N2O2/c1-17-13-6-2-3-7-14(13)18-10-9-16-8-4-5-12(16)11-15/h2-8H,9-10H2,1H3
InChIKeyHIKRMYAPFJMWNY-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile

1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile (PubChem CID 114652751) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
PubChem CID114652751
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
SMILESCOc1ccccc1OCCn1cccc1C#N
InChIInChI=1S/C14H14N2O2/c1-17-13-6-2-3-7-14(13)18-10-9-16-8-4-5-12(16)11-15/h2-8H,9-10H2,1H3
InChIKeyHIKRMYAPFJMWNY-UHFFFAOYSA-N
XLogP2.45
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[2-(2-methoxyphenoxy)ethyl]pyridin-2-one
CID 114761431
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
3-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]-N,N-dimethylpropan-1-amine
CID 170867032
6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
CID 116620601
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
1-(3-chloropropyl)pyrrole-2-carbonitrile
CID 114650702
1-(methoxymethyl)pyrrole-2-carbonitrile
CID 112692720
1-[2-(2-methoxyphenoxy)ethyl]-3-propylimidazol-2-one
CID 116624789
N-ethyl-1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-2-yl]ethanamine
CID 79108535
1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
CID 951786
1-(2-bromoethyl)pyrrole-2-carbonitrile
CID 114650712
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile (CID 114652751) is 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile is COc1ccccc1OCCn1cccc1C#N.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile?
The InChIKey is HIKRMYAPFJMWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-13-6-2-3-7-14(13)18-10-9-16-8-4-5-12(16)11-15/h2-8H,9-10H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile?
1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114652751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).