(1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione

C9H11NO2 — CID 82414658

IUPAC(1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione
SMILESO=C1CCN2C(=O)[C@H]3C[C@H]3C2C1
InChIInChI=1S/C9H11NO2/c11-5-1-2-10-8(3-5)6-4-7(6)9(10)12/h6-8H,1-4H2/t6-,7+,8?/m1/s1
InChIKeyZYWJQJNAVUDBTN-KVARREAHSA-N
MW165.19 g/mol
LogP0.20
Rot. Bonds

About (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione

(1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione (PubChem CID 82414658) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione.

Molecular Properties

Compound Name(1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione
PubChem CID82414658
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione
SMILESO=C1CCN2C(=O)[C@H]3C[C@H]3C2C1
InChIInChI=1S/C9H11NO2/c11-5-1-2-10-8(3-5)6-4-7(6)9(10)12/h6-8H,1-4H2/t6-,7+,8?/m1/s1
InChIKeyZYWJQJNAVUDBTN-KVARREAHSA-N
XLogP0.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione with MolForge

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Related Compounds

8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 175955149
3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583
benzyl (1S,2S,9R)-4,8-dioxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
CID 10736068
1-(2,4-dimethylcyclohexyl)-2-methylpiperidin-4-one
CID 63996295
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
CID 12914402
(1R,2R,5S)-2-(hydroxymethyl)-4-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 68768093
(2R)-2-ethyl-1-methylpiperidin-4-one
CID 143740711
2-methyl-1-(2-methylcyclopentyl)piperidin-4-one
CID 63281253
(2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 163815159
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
(5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione
CID 155249702
1,2-diphenylpiperidin-4-one
CID 56846102

Frequently Asked Questions

What is the IUPAC name of (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione?
The IUPAC name of (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione (CID 82414658) is (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione.
What is the SMILES notation for (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione?
The canonical SMILES for (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione is O=C1CCN2C(=O)[C@H]3C[C@H]3C2C1.
What is the InChIKey of (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione?
The InChIKey is ZYWJQJNAVUDBTN-KVARREAHSA-N. The full InChI is InChI=1S/C9H11NO2/c11-5-1-2-10-8(3-5)6-4-7(6)9(10)12/h6-8H,1-4H2/t6-,7+,8?/m1/s1.
What are the key properties of (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione?
(1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione has a molecular weight of 165.19 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione is sourced from PubChem (CID 82414658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).