4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile

C11H15N3O2 — CID 100772772

IUPAC4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile
SMILESC=CCn1c(C#N)cc(N)c1OCCOC
InChIInChI=1S/C11H15N3O2/c1-3-4-14-9(8-12)7-10(13)11(14)16-6-5-15-2/h3,7H,1,4-6,13H2,2H3
InChIKeyMVSRRGPTDNZRGC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.15
Rot. Bonds6

About 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile

4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile (PubChem CID 100772772) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile
PubChem CID100772772
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile
SMILESC=CCn1c(C#N)cc(N)c1OCCOC
InChIInChI=1S/C11H15N3O2/c1-3-4-14-9(8-12)7-10(13)11(14)16-6-5-15-2/h3,7H,1,4-6,13H2,2H3
InChIKeyMVSRRGPTDNZRGC-UHFFFAOYSA-N
XLogP1.15
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-benzyl-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772785
4-amino-1-[(2R)-butan-2-yl]-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772757
4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile
CID 100772841
4-amino-1-ethyl-5-(3-methoxy-3-methylbutoxy)pyrrole-2-carbonitrile
CID 100773151
4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774574
4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773744
4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile
CID 133168457
4-amino-5-[(3R)-3-methylpiperidin-1-yl]-1-prop-2-enylpyrrole-2-carbonitrile
CID 100770639
4-amino-1-[(2-fluorophenyl)methyl]-5-(3-methoxy-3-methylbutoxy)pyrrole-2-carbonitrile
CID 100773241
4-amino-5-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrole-2-carbonitrile
CID 100767755
4-amino-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-(2-methoxyethyl)pyrrole-2-carbonitrile
CID 100771190
4-amino-1-butan-2-yl-5-(3-methoxy-3-methylbutoxy)pyrrole-2-carbonitrile
CID 133168473

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile (CID 100772772) is 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile is C=CCn1c(C#N)cc(N)c1OCCOC.
What is the InChIKey of 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile?
The InChIKey is MVSRRGPTDNZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-4-14-9(8-12)7-10(13)11(14)16-6-5-15-2/h3,7H,1,4-6,13H2,2H3.
What are the key properties of 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile?
4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile is sourced from PubChem (CID 100772772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).