3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one

C9H13NO — CID 83815334

IUPAC3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one
SMILESO=C1CC2CCC3CC3C2N1
InChIInChI=1S/C9H13NO/c11-8-4-6-2-1-5-3-7(5)9(6)10-8/h5-7,9H,1-4H2,(H,10,11)
InChIKeyOAJLDVOLGCNAAW-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.92
Rot. Bonds

About 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one

3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one (PubChem CID 83815334) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one.

Molecular Properties

Compound Name3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one
PubChem CID83815334
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one
SMILESO=C1CC2CCC3CC3C2N1
InChIInChI=1S/C9H13NO/c11-8-4-6-2-1-5-3-7(5)9(6)10-8/h5-7,9H,1-4H2,(H,10,11)
InChIKeyOAJLDVOLGCNAAW-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one with MolForge

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Related Compounds

(6R)-6-iodo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
CID 130736875
(3aS,7R,7aR)-7-bromo-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 11658587
tricyclo[5.2.1.02,6]decan-4-one
CID 549023
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
CID 102175819
(6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
CID 90023713
1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one
CID 105438896
(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
CID 45098359
[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684888
5,6-difluoro-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 42608945
4-cyclopropylpiperidin-2-one
CID 75132317
5-cyclohexyl-4-methylpyrrolidin-2-one
CID 155214705
5-methyl-4-(3-methylcyclohexyl)pyrrolidin-2-one
CID 66106098

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one?
The IUPAC name of 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one (CID 83815334) is 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one.
What is the SMILES notation for 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one?
The canonical SMILES for 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one is O=C1CC2CCC3CC3C2N1.
What is the InChIKey of 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one?
The InChIKey is OAJLDVOLGCNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-4-6-2-1-5-3-7(5)9(6)10-8/h5-7,9H,1-4H2,(H,10,11).
What are the key properties of 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one?
3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one has a molecular weight of 151.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,5a,6,6a,6b-octahydro-1H-cyclopropa[g]indol-2-one is sourced from PubChem (CID 83815334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).