7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one

C14H10ClNO — CID 12751693

IUPAC7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one
SMILESCC1=CC2C=CC13NC(=O)c1ccc(Cl)c2c13
InChIInChI=1S/C14H10ClNO/c1-7-6-8-4-5-14(7)12-9(13(17)16-14)2-3-10(15)11(8)12/h2-6,8H,1H3,(H,16,17)
InChIKeyNHPASNHOBNCJSQ-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.89
Rot. Bonds

About 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one

7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one (PubChem CID 12751693) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one.

Molecular Properties

Compound Name7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one
PubChem CID12751693
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one
SMILESCC1=CC2C=CC13NC(=O)c1ccc(Cl)c2c13
InChIInChI=1S/C14H10ClNO/c1-7-6-8-4-5-14(7)12-9(13(17)16-14)2-3-10(15)11(8)12/h2-6,8H,1H3,(H,16,17)
InChIKeyNHPASNHOBNCJSQ-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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p-Chlorophenylphthalimide
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one?
The IUPAC name of 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one (CID 12751693) is 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one.
What is the SMILES notation for 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one?
The canonical SMILES for 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one is CC1=CC2C=CC13NC(=O)c1ccc(Cl)c2c13.
What is the InChIKey of 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one?
The InChIKey is NHPASNHOBNCJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-7-6-8-4-5-14(7)12-9(13(17)16-14)2-3-10(15)11(8)12/h2-6,8H,1H3,(H,16,17).
What are the key properties of 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one?
7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one has a molecular weight of 243.69 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-11-methyl-2-azatetracyclo[7.2.2.11,4.08,14]tetradeca-4(14),5,7,10,12-pentaen-3-one is sourced from PubChem (CID 12751693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).