1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C9H9NO — CID 167066966

IUPAC1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=c1cccc2n1CC1CC21
InChIInChI=1S/C9H9NO/c11-9-3-1-2-8-7-4-6(7)5-10(8)9/h1-3,6-7H,4-5H2
InChIKeyQHUDHUFVDCLISG-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.97
Rot. Bonds

About 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066966) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167066966
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=c1cccc2n1CC1CC21
InChIInChI=1S/C9H9NO/c11-9-3-1-2-8-7-4-6(7)5-10(8)9/h1-3,6-7H,4-5H2
InChIKeyQHUDHUFVDCLISG-UHFFFAOYSA-N
XLogP0.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10,12-dichloro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 165342131
(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
CID 6551054
(1S,9R,10R)-10-hydroxy-11-oxa-7-azatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163104393
(1S,9S,10R)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 11859174
(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 5351589
(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
CID 102034066
(1R,2R,10R)-15-methyl-4,12-diazatetracyclo[8.5.0.02,13.04,9]pentadeca-6,8-dien-5-one
CID 72945608
(1R,9S)-11-(111C)methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 10655771
11-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171157233
(1S,9S)-11-hydroxy-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163157728
(1R,9S)-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one bromide
CID 139062774
(1R,9S,10R)-14-methyl-7-aza-14-azoniatetracyclo[7.6.1.02,7.010,14]hexadeca-2,4-dien-6-one
CID 99979179

Frequently Asked Questions

What is the IUPAC name of 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066966) is 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is O=c1cccc2n1CC1CC21.
What is the InChIKey of 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is QHUDHUFVDCLISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-3-1-2-8-7-4-6(7)5-10(8)9/h1-3,6-7H,4-5H2.
What are the key properties of 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 147.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).