(7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

C17H20N4O4 — CID 18447866

IUPAC(7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3CCOCC3=O)cc1)C2
InChIInChI=1S/C17H20N4O4/c18-15(23)17-6-1-7-21(17)16(24)20(11-17)13-4-2-12(3-5-13)19-8-9-25-10-14(19)22/h2-5H,1,6-11H2,(H2,18,23)/t17-/m1/s1
InChIKeyANIFSSQDFSXQFZ-QGZVFWFLSA-N
MW344.37 g/mol
LogP0.31
Rot. Bonds3

About (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide

(7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (PubChem CID 18447866) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.

Molecular Properties

Compound Name(7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
PubChem CID18447866
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
SMILESNC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3CCOCC3=O)cc1)C2
InChIInChI=1S/C17H20N4O4/c18-15(23)17-6-1-7-21(17)16(24)20(11-17)13-4-2-12(3-5-13)19-8-9-25-10-14(19)22/h2-5H,1,6-11H2,(H2,18,23)/t17-/m1/s1
InChIKeyANIFSSQDFSXQFZ-QGZVFWFLSA-N
XLogP0.31
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The IUPAC name of (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide (CID 18447866) is (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide.
What is the SMILES notation for (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The canonical SMILES for (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is NC(=O)[C@]12CCCN1C(=O)N(c1ccc(N3CCOCC3=O)cc1)C2.
What is the InChIKey of (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
The InChIKey is ANIFSSQDFSXQFZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O4/c18-15(23)17-6-1-7-21(17)16(24)20(11-17)13-4-2-12(3-5-13)19-8-9-25-10-14(19)22/h2-5H,1,6-11H2,(H2,18,23)/t17-/m1/s1.
What are the key properties of (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide?
(7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-3-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide is sourced from PubChem (CID 18447866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).