1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide

C13H19N3O2 — CID 103548345

IUPAC1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1COCCN1)c1cccn1C1CC1
InChIInChI=1S/C13H19N3O2/c17-13(15-8-10-9-18-7-5-14-10)12-2-1-6-16(12)11-3-4-11/h1-2,6,10-11,14H,3-5,7-9H2,(H,15,17)
InChIKeyGEKHVDIQMVOPNV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.54
Rot. Bonds4

About 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide

1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 103548345) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID103548345
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1COCCN1)c1cccn1C1CC1
InChIInChI=1S/C13H19N3O2/c17-13(15-8-10-9-18-7-5-14-10)12-2-1-6-16(12)11-3-4-11/h1-2,6,10-11,14H,3-5,7-9H2,(H,15,17)
InChIKeyGEKHVDIQMVOPNV-UHFFFAOYSA-N
XLogP0.54
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541280
1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548575
1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80564395
N-(morpholin-3-ylmethyl)furan-3-carboxamide
CID 103548513
1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971656
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
2-hydroxy-N-(morpholin-3-ylmethyl)-2-phenylacetamide
CID 103548723
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
1-cyclopentyl-N-[(2-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 110007316

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide (CID 103548345) is 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide is O=C(NCC1COCCN1)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is GEKHVDIQMVOPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(15-8-10-9-18-7-5-14-10)12-2-1-6-16(12)11-3-4-11/h1-2,6,10-11,14H,3-5,7-9H2,(H,15,17).
What are the key properties of 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 103548345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).