N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide

C18H17NO — CID 54261147

IUPACN-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide
SMILESCC1=Cc2ccc(C)cc2C(NC=O)c2ccccc21
InChIInChI=1S/C18H17NO/c1-12-7-8-14-10-13(2)15-5-3-4-6-16(15)18(19-11-20)17(14)9-12/h3-11,18H,1-2H3,(H,19,20)
InChIKeyRDPDBRJUUZTGHK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.70
Rot. Bonds2

About N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide

N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide (PubChem CID 54261147) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide.

Molecular Properties

Compound NameN-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide
PubChem CID54261147
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide
SMILESCC1=Cc2ccc(C)cc2C(NC=O)c2ccccc21
InChIInChI=1S/C18H17NO/c1-12-7-8-14-10-13(2)15-5-3-4-6-16(15)18(19-11-20)17(14)9-12/h3-11,18H,1-2H3,(H,19,20)
InChIKeyRDPDBRJUUZTGHK-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide?
The IUPAC name of N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide (CID 54261147) is N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide.
What is the SMILES notation for N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide?
The canonical SMILES for N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide is CC1=Cc2ccc(C)cc2C(NC=O)c2ccccc21.
What is the InChIKey of N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide?
The InChIKey is RDPDBRJUUZTGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-7-8-14-10-13(2)15-5-3-4-6-16(15)18(19-11-20)17(14)9-12/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide?
N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide has a molecular weight of 263.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide is sourced from PubChem (CID 54261147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).