2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one

C20H13NO — CID 163751220

IUPAC2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one
SMILESO=C1Cc2cc3ccccc3cc2-n2c1cc1ccccc12
InChIInChI=1S/C20H13NO/c22-20-12-16-9-13-5-1-2-6-14(13)10-18(16)21-17-8-4-3-7-15(17)11-19(20)21/h1-11H,12H2
InChIKeyASWYWETZNCLFEP-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.52
Rot. Bonds

About 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one

2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one (PubChem CID 163751220) has the molecular formula C20H13NO and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one.

Molecular Properties

Compound Name2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one
PubChem CID163751220
Molecular FormulaC20H13NO
Molecular Weight283.33 g/mol
Exact Mass283.10
IUPAC Name2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one
SMILESO=C1Cc2cc3ccccc3cc2-n2c1cc1ccccc12
InChIInChI=1S/C20H13NO/c22-20-12-16-9-13-5-1-2-6-14(13)10-18(16)21-17-8-4-3-7-15(17)11-19(20)21/h1-11H,12H2
InChIKeyASWYWETZNCLFEP-UHFFFAOYSA-N
XLogP4.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one with MolForge

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Related Compounds

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CID 155935107
N-methylindolo[1,2-a]indol-11-imine
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4,4-dihydroxy-1H-anthracene-2,3-dione
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1H-cyclopropa[b]naphthalene;ethane
CID 144907572
9-(3-bromonaphthalen-2-yl)carbazole
CID 166009716
2-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one
CID 12820627
7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 86746430
3H-pyrazino[1,2-a]indol-4-one
CID 141364552
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CID 53320345
1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole
CID 163207257

Frequently Asked Questions

What is the IUPAC name of 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one?
The IUPAC name of 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one (CID 163751220) is 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one.
What is the SMILES notation for 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one?
The canonical SMILES for 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one is O=C1Cc2cc3ccccc3cc2-n2c1cc1ccccc12.
What is the InChIKey of 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one?
The InChIKey is ASWYWETZNCLFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO/c22-20-12-16-9-13-5-1-2-6-14(13)10-18(16)21-17-8-4-3-7-15(17)11-19(20)21/h1-11H,12H2.
What are the key properties of 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one?
2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one has a molecular weight of 283.33 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one is sourced from PubChem (CID 163751220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).