2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide

C10H15N3O2 — CID 178068263

IUPAC2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(C2CCOCC2)c1N
InChIInChI=1S/C10H15N3O2/c11-9-8(10(12)14)1-4-13(9)7-2-5-15-6-3-7/h1,4,7H,2-3,5-6,11H2,(H2,12,14)
InChIKeySKBBSSYQFVRPCT-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.52
Rot. Bonds2

About 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide

2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide (PubChem CID 178068263) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide
PubChem CID178068263
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(C2CCOCC2)c1N
InChIInChI=1S/C10H15N3O2/c11-9-8(10(12)14)1-4-13(9)7-2-5-15-6-3-7/h1,4,7H,2-3,5-6,11H2,(H2,12,14)
InChIKeySKBBSSYQFVRPCT-UHFFFAOYSA-N
XLogP0.52
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46873893
5-amino-1-(oxan-4-yl)pyridin-2-one
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7-chloro-1-(oxan-4-yl)indole
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2-amino-1-propan-2-ylpyrrole-3-carboxamide
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2-[fluoro(oxan-4-yl)amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide (CID 178068263) is 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide is NC(=O)c1ccn(C2CCOCC2)c1N.
What is the InChIKey of 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide?
The InChIKey is SKBBSSYQFVRPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-9-8(10(12)14)1-4-13(9)7-2-5-15-6-3-7/h1,4,7H,2-3,5-6,11H2,(H2,12,14).
What are the key properties of 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide?
2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(oxan-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 178068263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).