1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile

C15H23N3O2 — CID 164634497

IUPAC1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile
SMILESCCn1cc(CN2CCO[C@@H](CCOC)C2)cc1C#N
InChIInChI=1S/C15H23N3O2/c1-3-18-11-13(8-14(18)9-16)10-17-5-7-20-15(12-17)4-6-19-2/h8,11,15H,3-7,10,12H2,1-2H3/t15-/m0/s1
InChIKeyWOXIZJIBSKJUCX-HNNXBMFYSA-N
MW277.37 g/mol
LogP1.62
Rot. Bonds6

About 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile

1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile (PubChem CID 164634497) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile
PubChem CID164634497
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile
SMILESCCn1cc(CN2CCO[C@@H](CCOC)C2)cc1C#N
InChIInChI=1S/C15H23N3O2/c1-3-18-11-13(8-14(18)9-16)10-17-5-7-20-15(12-17)4-6-19-2/h8,11,15H,3-7,10,12H2,1-2H3/t15-/m0/s1
InChIKeyWOXIZJIBSKJUCX-HNNXBMFYSA-N
XLogP1.62
TPSA50.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile (CID 164634497) is 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile is CCn1cc(CN2CCO[C@@H](CCOC)C2)cc1C#N.
What is the InChIKey of 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile?
The InChIKey is WOXIZJIBSKJUCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-18-11-13(8-14(18)9-16)10-17-5-7-20-15(12-17)4-6-19-2/h8,11,15H,3-7,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile?
1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[(2S)-2-(2-methoxyethyl)morpholin-4-yl]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 164634497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).