1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide

C11H13N3O — CID 154669967

IUPAC1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide
SMILESCCNC(=O)c1ccn(C2(C#N)CC2)c1
InChIInChI=1S/C11H13N3O/c1-2-13-10(15)9-3-6-14(7-9)11(8-12)4-5-11/h3,6-7H,2,4-5H2,1H3,(H,13,15)
InChIKeyUWJYPANKRKIMBA-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.25
Rot. Bonds3

About 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide

1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide (PubChem CID 154669967) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide
PubChem CID154669967
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide
SMILESCCNC(=O)c1ccn(C2(C#N)CC2)c1
InChIInChI=1S/C11H13N3O/c1-2-13-10(15)9-3-6-14(7-9)11(8-12)4-5-11/h3,6-7H,2,4-5H2,1H3,(H,13,15)
InChIKeyUWJYPANKRKIMBA-UHFFFAOYSA-N
XLogP1.25
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide?
The IUPAC name of 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide (CID 154669967) is 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide is CCNC(=O)c1ccn(C2(C#N)CC2)c1.
What is the InChIKey of 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide?
The InChIKey is UWJYPANKRKIMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-13-10(15)9-3-6-14(7-9)11(8-12)4-5-11/h3,6-7H,2,4-5H2,1H3,(H,13,15).
What are the key properties of 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide?
1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide is sourced from PubChem (CID 154669967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).