2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide

C10H14N2O2 — CID 22839052

IUPAC2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C[C@H]2CCC=C[C@H]21
InChIInChI=1S/C10H14N2O2/c11-9(13)6-12-8-4-2-1-3-7(8)5-10(12)14/h2,4,7-8H,1,3,5-6H2,(H2,11,13)/t7-,8-/m1/s1
InChIKeyBBHPKODPJDMEBK-HTQZYQBOSA-N
MW194.23 g/mol
LogP0.04
Rot. Bonds2

About 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide

2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide (PubChem CID 22839052) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide
PubChem CID22839052
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C[C@H]2CCC=C[C@H]21
InChIInChI=1S/C10H14N2O2/c11-9(13)6-12-8-4-2-1-3-7(8)5-10(12)14/h2,4,7-8H,1,3,5-6H2,(H2,11,13)/t7-,8-/m1/s1
InChIKeyBBHPKODPJDMEBK-HTQZYQBOSA-N
XLogP0.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetamide
CID 14182974
2-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]acetamide
CID 14182975
2-(2-oxo-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]pyrrol-1-yl)acetamide
CID 14182987
1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide
CID 13368795
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide
CID 92846644
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]acetamide
CID 98231042
2-(4-oxo-2-sulfanyl-1,3-thiazolidin-3-yl)acetamide
CID 141266040
2-[2-oxo-4-(thiophen-2-ylmethylsulfanyl)azetidin-1-yl]acetamide
CID 142631268
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556
2-(4-oxo-2-phenyl-(213C)1,3-thiazolidin-3-yl)acetamide
CID 10705033

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide?
The IUPAC name of 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide (CID 22839052) is 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide.
What is the SMILES notation for 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide?
The canonical SMILES for 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide is NC(=O)CN1C(=O)C[C@H]2CCC=C[C@H]21.
What is the InChIKey of 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide?
The InChIKey is BBHPKODPJDMEBK-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-9(13)6-12-8-4-2-1-3-7(8)5-10(12)14/h2,4,7-8H,1,3,5-6H2,(H2,11,13)/t7-,8-/m1/s1.
What are the key properties of 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide?
2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide has a molecular weight of 194.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7aS)-2-oxo-3a,4,5,7a-tetrahydro-3H-indol-1-yl]acetamide is sourced from PubChem (CID 22839052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).