11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

C17H17NO — CID 15489266

IUPAC11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESO=C1C2C3CC4C2C(Nc2ccccc2)C2C1C3C42
InChIInChI=1S/C17H17NO/c19-17-13-9-6-8-10-11(9)15(17)14(10)16(12(8)13)18-7-4-2-1-3-5-7/h1-5,8-16,18H,6H2
InChIKeyQHHUZFVZFHJJKE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds2

About 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (PubChem CID 15489266) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.

Molecular Properties

Compound Name11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
PubChem CID15489266
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
SMILESO=C1C2C3CC4C2C(Nc2ccccc2)C2C1C3C42
InChIInChI=1S/C17H17NO/c19-17-13-9-6-8-10-11(9)15(17)14(10)16(12(8)13)18-7-4-2-1-3-5-7/h1-5,8-16,18H,6H2
InChIKeyQHHUZFVZFHJJKE-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The IUPAC name of 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one (CID 15489266) is 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.
What is the SMILES notation for 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The canonical SMILES for 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is O=C1C2C3CC4C2C(Nc2ccccc2)C2C1C3C42.
What is the InChIKey of 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
The InChIKey is QHHUZFVZFHJJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17-13-9-6-8-10-11(9)15(17)14(10)16(12(8)13)18-7-4-2-1-3-5-7/h1-5,8-16,18H,6H2.
What are the key properties of 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one?
11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one has a molecular weight of 251.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-anilinopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one is sourced from PubChem (CID 15489266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).