N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide

C16H22N4O3 — CID 167750474

IUPACN-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
SMILESCC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cn3c(n1)CCC3)C2
InChIInChI=1S/C16H22N4O3/c1-11(21)18-16-4-6-23-9-12(16)7-20(10-16)15(22)13-8-19-5-2-3-14(19)17-13/h8,12H,2-7,9-10H2,1H3,(H,18,21)/t12-,16+/m0/s1
InChIKeyCXTRAGBCXYOMAN-BLLLJJGKSA-N
MW318.38 g/mol
LogP0.20
Rot. Bonds2

About N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide

N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide (PubChem CID 167750474) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide.

Molecular Properties

Compound NameN-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
PubChem CID167750474
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
SMILESCC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cn3c(n1)CCC3)C2
InChIInChI=1S/C16H22N4O3/c1-11(21)18-16-4-6-23-9-12(16)7-20(10-16)15(22)13-8-19-5-2-3-14(19)17-13/h8,12H,2-7,9-10H2,1H3,(H,18,21)/t12-,16+/m0/s1
InChIKeyCXTRAGBCXYOMAN-BLLLJJGKSA-N
XLogP0.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide with MolForge

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Related Compounds

N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
CID 167759406
N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
CID 166355013
lithium;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylic acid;hydride
CID 174674138
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl-(4-methylpiperidin-1-yl)methanone
CID 71838110
(3S,4R)-4-[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]oxan-3-ol
CID 138055573
N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138001801
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46080951
(4-butylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 71838038
pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155915231
(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 163312698
(3aS,7aS)-2-(5-methyl-1H-pyrazole-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626839
(3aS,7aS)-2-(pyridine-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628092

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The IUPAC name of N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide (CID 167750474) is N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide.
What is the SMILES notation for N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The canonical SMILES for N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide is CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cn3c(n1)CCC3)C2.
What is the InChIKey of N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The InChIKey is CXTRAGBCXYOMAN-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(21)18-16-4-6-23-9-12(16)7-20(10-16)15(22)13-8-19-5-2-3-14(19)17-13/h8,12H,2-7,9-10H2,1H3,(H,18,21)/t12-,16+/m0/s1.
What are the key properties of N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide is sourced from PubChem (CID 167750474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).