[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid

C22H23NO2 — CID 71259256

IUPAC[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCCC(=C2c3ccccc3CCc3ccccc32)C1
InChIInChI=1S/C22H23NO2/c24-22(25)23-18-9-5-8-17(14-18)21-19-10-3-1-6-15(19)12-13-16-7-2-4-11-20(16)21/h1-4,6-7,10-11,18,23H,5,8-9,12-14H2,(H,24,25)
InChIKeyVFQCPIGRQPJJPO-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.80
Rot. Bonds1

About [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid

[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid (PubChem CID 71259256) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid
PubChem CID71259256
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCCC(=C2c3ccccc3CCc3ccccc32)C1
InChIInChI=1S/C22H23NO2/c24-22(25)23-18-9-5-8-17(14-18)21-19-10-3-1-6-15(19)12-13-16-7-2-4-11-20(16)21/h1-4,6-7,10-11,18,23H,5,8-9,12-14H2,(H,24,25)
InChIKeyVFQCPIGRQPJJPO-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid?
The IUPAC name of [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid (CID 71259256) is [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid.
What is the SMILES notation for [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid?
The canonical SMILES for [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid is O=C(O)NC1CCCC(=C2c3ccccc3CCc3ccccc32)C1.
What is the InChIKey of [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid?
The InChIKey is VFQCPIGRQPJJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-22(25)23-18-9-5-8-17(14-18)21-19-10-3-1-6-15(19)12-13-16-7-2-4-11-20(16)21/h1-4,6-7,10-11,18,23H,5,8-9,12-14H2,(H,24,25).
What are the key properties of [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid?
[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid has a molecular weight of 333.43 g/mol, XLogP of 4.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid is sourced from PubChem (CID 71259256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).