4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide

C12H19N3O2 — CID 83176737

IUPAC4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
SMILESCC(CCO)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C12H19N3O2/c1-8(4-5-16)14-12(17)11-6-9(13)7-15(11)10-2-3-10/h6-8,10,16H,2-5,13H2,1H3,(H,14,17)
InChIKeyJIRLJWAKTGHQLA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.91
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide (PubChem CID 83176737) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
PubChem CID83176737
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
SMILESCC(CCO)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C12H19N3O2/c1-8(4-5-16)14-12(17)11-6-9(13)7-15(11)10-2-3-10/h6-8,10,16H,2-5,13H2,1H3,(H,14,17)
InChIKeyJIRLJWAKTGHQLA-UHFFFAOYSA-N
XLogP0.91
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide (CID 83176737) is 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide is CC(CCO)NC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The InChIKey is JIRLJWAKTGHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(4-5-16)14-12(17)11-6-9(13)7-15(11)10-2-3-10/h6-8,10,16H,2-5,13H2,1H3,(H,14,17).
What are the key properties of 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 83176737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).