1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone

C20H13NO — CID 10684381

IUPAC1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone
SMILESCC(=O)c1cc2c3ccccc3c3c4ccccc4c(c1)n23
InChIInChI=1S/C20H13NO/c1-12(22)13-10-18-14-6-2-4-8-16(14)20-17-9-5-3-7-15(17)19(11-13)21(18)20/h2-11H,1H3
InChIKeySKGOXBAITDJEAD-UHFFFAOYSA-N
MW283.33 g/mol
LogP5.04
Rot. Bonds1

About 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone

1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone (PubChem CID 10684381) has the molecular formula C20H13NO and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone.

Molecular Properties

Compound Name1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone
PubChem CID10684381
Molecular FormulaC20H13NO
Molecular Weight283.33 g/mol
Exact Mass283.10
IUPAC Name1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone
SMILESCC(=O)c1cc2c3ccccc3c3c4ccccc4c(c1)n23
InChIInChI=1S/C20H13NO/c1-12(22)13-10-18-14-6-2-4-8-16(14)20-17-9-5-3-7-15(17)19(11-13)21(18)20/h2-11H,1H3
InChIKeySKGOXBAITDJEAD-UHFFFAOYSA-N
XLogP5.04
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.33
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone
CID 102587622
9,31-dimethyl-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-dimethyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 165036844
1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10,13,15,17(34),18,21(33),22,24,27,29,31-pentadecaene-12,26-dione
CID 168832329
5,38-diazaheptadecacyclo[36.28.1.15,30.02,37.04,35.06,29.08,27.09,14.015,20.021,26.039,62.041,60.042,47.048,53.054,59.063,67.034,68]octahexaconta-1(66),2,4(35),6(29),7,9,11,13,15,17,19,21,23,25,27,30(68),31,33,36,39(62),40,42,44,46,48,50,52,54,56,58,60,63(67),64-tritriacontaene
CID 170210969
1-azulen-2-ylethanone
CID 15255141
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
1-azapentadecacyclo[32.28.1.02,29.04,27.06,25.07,12.013,18.019,24.030,63.035,62.037,60.039,58.040,45.046,51.052,57]trihexaconta-2(29),3,5,7,9,11,13,15,17,19,21,23,25,27,30(63),31,33,35(62),36,38,40,42,44,46,48,50,52,54,56,58,60-hentriacontaene
CID 170211005
methyl 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)benzoate
CID 176895812
13-propan-2-yl-18-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-1(17),2,4,6,8,11(19),12,14-octaene-10,16-dione
CID 118326347
5-chloro-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 130456935
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438

Frequently Asked Questions

What is the IUPAC name of 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone?
The IUPAC name of 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone (CID 10684381) is 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone.
What is the SMILES notation for 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone?
The canonical SMILES for 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone is CC(=O)c1cc2c3ccccc3c3c4ccccc4c(c1)n23.
What is the InChIKey of 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone?
The InChIKey is SKGOXBAITDJEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO/c1-12(22)13-10-18-14-6-2-4-8-16(14)20-17-9-5-3-7-15(17)19(11-13)21(18)20/h2-11H,1H3.
What are the key properties of 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone?
1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone has a molecular weight of 283.33 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone is sourced from PubChem (CID 10684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).