(1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one

C14H15NO — CID 138973755

IUPAC(1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one
SMILESO=C1Nc2ccccc2[C@@]23CCC[C@@H]2C[C@@H]13
InChIInChI=1S/C14H15NO/c16-13-11-8-9-4-3-7-14(9,11)10-5-1-2-6-12(10)15-13/h1-2,5-6,9,11H,3-4,7-8H2,(H,15,16)/t9-,11+,14-/m1/s1
InChIKeyLJLWNCLJTHEVPP-OLUVUFQESA-N
MW213.28 g/mol
LogP2.70
Rot. Bonds

About (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one

(1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one (PubChem CID 138973755) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name(1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one
PubChem CID138973755
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one
SMILESO=C1Nc2ccccc2[C@@]23CCC[C@@H]2C[C@@H]13
InChIInChI=1S/C14H15NO/c16-13-11-8-9-4-3-7-14(9,11)10-5-1-2-6-12(10)15-13/h1-2,5-6,9,11H,3-4,7-8H2,(H,15,16)/t9-,11+,14-/m1/s1
InChIKeyLJLWNCLJTHEVPP-OLUVUFQESA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one with MolForge

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Related Compounds

(1R,10R,12R)-14-oxa-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one
CID 138973145
spiro[3,4-dihydro-1H-1-benzazepine-5,1'-cyclohexane]-2-one
CID 57173865
3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
CID 22312377
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
(1R,10R)-12,12-bis(ethenyl)-14-prop-2-enyl-8,14-diazatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-9-one
CID 135073214
(1R,10S,13S)-12,12-bis(ethenyl)-14-prop-2-enyl-8,14-diazatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-9-one
CID 52937903
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
spiro[1H-indole-3,3'-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine]-1',2-dione
CID 60526057
3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
CID 83035071
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 102208917

Frequently Asked Questions

What is the IUPAC name of (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one?
The IUPAC name of (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one (CID 138973755) is (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one.
What is the SMILES notation for (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one?
The canonical SMILES for (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one is O=C1Nc2ccccc2[C@@]23CCC[C@@H]2C[C@@H]13.
What is the InChIKey of (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one?
The InChIKey is LJLWNCLJTHEVPP-OLUVUFQESA-N. The full InChI is InChI=1S/C14H15NO/c16-13-11-8-9-4-3-7-14(9,11)10-5-1-2-6-12(10)15-13/h1-2,5-6,9,11H,3-4,7-8H2,(H,15,16)/t9-,11+,14-/m1/s1.
What are the key properties of (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one?
(1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one has a molecular weight of 213.28 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,12R)-8-azatetracyclo[8.5.0.01,12.02,7]pentadeca-2,4,6-trien-9-one is sourced from PubChem (CID 138973755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).