(2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol

C18H19NO — CID 6506716

IUPAC(2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
SMILESNCC/C=C1\c2ccccc2CC(O)c2ccccc21
InChIInChI=1S/C18H19NO/c19-11-5-10-15-14-7-2-1-6-13(14)12-18(20)17-9-4-3-8-16(15)17/h1-4,6-10,18,20H,5,11-12,19H2/b15-10+
InChIKeyPIEVJGJKDMQGSG-XNTDXEJSSA-N
MW265.36 g/mol
LogP3.06
Rot. Bonds2

About (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol

(2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol (PubChem CID 6506716) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol.

Molecular Properties

Compound Name(2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
PubChem CID6506716
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
SMILESNCC/C=C1\c2ccccc2CC(O)c2ccccc21
InChIInChI=1S/C18H19NO/c19-11-5-10-15-14-7-2-1-6-13(14)12-18(20)17-9-4-3-8-16(15)17/h1-4,6-10,18,20H,5,11-12,19H2/b15-10+
InChIKeyPIEVJGJKDMQGSG-XNTDXEJSSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol?
The IUPAC name of (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol (CID 6506716) is (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol.
What is the SMILES notation for (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol?
The canonical SMILES for (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol is NCC/C=C1\c2ccccc2CC(O)c2ccccc21.
What is the InChIKey of (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol?
The InChIKey is PIEVJGJKDMQGSG-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H19NO/c19-11-5-10-15-14-7-2-1-6-13(14)12-18(20)17-9-4-3-8-16(15)17/h1-4,6-10,18,20H,5,11-12,19H2/b15-10+.
What are the key properties of (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol?
(2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol has a molecular weight of 265.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol is sourced from PubChem (CID 6506716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).