N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide

C17H15NO — CID 88845755

IUPACN-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide
SMILESO=CNCC1=CC=c2ccccc2=C2C=CC=CC12
InChIInChI=1S/C17H15NO/c19-12-18-11-14-10-9-13-5-1-2-6-15(13)17-8-4-3-7-16(14)17/h1-10,12,16H,11H2,(H,18,19)
InChIKeyNSTDRIHBYYGELA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds3

About N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide

N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide (PubChem CID 88845755) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide.

Molecular Properties

Compound NameN-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide
PubChem CID88845755
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC NameN-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide
SMILESO=CNCC1=CC=c2ccccc2=C2C=CC=CC12
InChIInChI=1S/C17H15NO/c19-12-18-11-14-10-9-13-5-1-2-6-15(13)17-8-4-3-7-16(14)17/h1-10,12,16H,11H2,(H,18,19)
InChIKeyNSTDRIHBYYGELA-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide?
The IUPAC name of N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide (CID 88845755) is N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide.
What is the SMILES notation for N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide?
The canonical SMILES for N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide is O=CNCC1=CC=c2ccccc2=C2C=CC=CC12.
What is the InChIKey of N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide?
The InChIKey is NSTDRIHBYYGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-12-18-11-14-10-9-13-5-1-2-6-15(13)17-8-4-3-7-16(14)17/h1-10,12,16H,11H2,(H,18,19).
What are the key properties of N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide?
N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide has a molecular weight of 249.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaenylmethyl)formamide is sourced from PubChem (CID 88845755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).