(8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide

C15H18N2O3 — CID 101178735

IUPAC(8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1COC(=O)[C@@H]2CCCN12
InChIInChI=1S/C15H18N2O3/c18-14(16-9-11-5-2-1-3-6-11)13-10-20-15(19)12-7-4-8-17(12)13/h1-3,5-6,12-13H,4,7-10H2,(H,16,18)/t12-,13?/m0/s1
InChIKeyKUSFKYJPWZPHQA-UEWDXFNNSA-N
MW274.32 g/mol
LogP0.69
Rot. Bonds3

About (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide

(8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide (PubChem CID 101178735) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name(8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide
PubChem CID101178735
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1COC(=O)[C@@H]2CCCN12
InChIInChI=1S/C15H18N2O3/c18-14(16-9-11-5-2-1-3-6-11)13-10-20-15(19)12-7-4-8-17(12)13/h1-3,5-6,12-13H,4,7-10H2,(H,16,18)/t12-,13?/m0/s1
InChIKeyKUSFKYJPWZPHQA-UEWDXFNNSA-N
XLogP0.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
CID 149222772
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848

Frequently Asked Questions

What is the IUPAC name of (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide?
The IUPAC name of (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide (CID 101178735) is (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide.
What is the SMILES notation for (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide?
The canonical SMILES for (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide is O=C(NCc1ccccc1)C1COC(=O)[C@@H]2CCCN12.
What is the InChIKey of (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide?
The InChIKey is KUSFKYJPWZPHQA-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(16-9-11-5-2-1-3-6-11)13-10-20-15(19)12-7-4-8-17(12)13/h1-3,5-6,12-13H,4,7-10H2,(H,16,18)/t12-,13?/m0/s1.
What are the key properties of (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide?
(8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-N-benzyl-1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 101178735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).