15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde

C18H15NO2 — CID 88901850

IUPAC15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde
SMILESCC1(C=O)CC2(N=O)c3ccccc3C1c1ccccc12
InChIInChI=1S/C18H15NO2/c1-17(11-20)10-18(19-21)14-8-4-2-6-12(14)16(17)13-7-3-5-9-15(13)18/h2-9,11,16H,10H2,1H3
InChIKeyCGZXGGXKULKUIW-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.75
Rot. Bonds2

About 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde

15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde (PubChem CID 88901850) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde.

Molecular Properties

Compound Name15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde
PubChem CID88901850
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde
SMILESCC1(C=O)CC2(N=O)c3ccccc3C1c1ccccc12
InChIInChI=1S/C18H15NO2/c1-17(11-20)10-18(19-21)14-8-4-2-6-12(14)16(17)13-7-3-5-9-15(13)18/h2-9,11,16H,10H2,1H3
InChIKeyCGZXGGXKULKUIW-UHFFFAOYSA-N
XLogP3.75
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde?
The IUPAC name of 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde (CID 88901850) is 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde.
What is the SMILES notation for 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde?
The canonical SMILES for 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde is CC1(C=O)CC2(N=O)c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde?
The InChIKey is CGZXGGXKULKUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-17(11-20)10-18(19-21)14-8-4-2-6-12(14)16(17)13-7-3-5-9-15(13)18/h2-9,11,16H,10H2,1H3.
What are the key properties of 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde?
15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde has a molecular weight of 277.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-8-nitrosotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbaldehyde is sourced from PubChem (CID 88901850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).