1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine

C18H20N2O — CID 146385208

IUPAC1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine
SMILESCOC1Cc2ccccc2/C(N(C)N)=C\c2ccccc21
InChIInChI=1S/C18H20N2O/c1-20(19)17-11-13-7-4-6-10-16(13)18(21-2)12-14-8-3-5-9-15(14)17/h3-11,18H,12,19H2,1-2H3/b17-11+
InChIKeyUOJCPVYETLKVPO-GZTJUZNOSA-N
MW280.37 g/mol
LogP3.23
Rot. Bonds2

About 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine

1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine (PubChem CID 146385208) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine
PubChem CID146385208
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine
SMILESCOC1Cc2ccccc2/C(N(C)N)=C\c2ccccc21
InChIInChI=1S/C18H20N2O/c1-20(19)17-11-13-7-4-6-10-16(13)18(21-2)12-14-8-3-5-9-15(14)17/h3-11,18H,12,19H2,1-2H3/b17-11+
InChIKeyUOJCPVYETLKVPO-GZTJUZNOSA-N
XLogP3.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine?
The IUPAC name of 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine (CID 146385208) is 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine?
The canonical SMILES for 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine is COC1Cc2ccccc2/C(N(C)N)=C\c2ccccc21.
What is the InChIKey of 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine?
The InChIKey is UOJCPVYETLKVPO-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(19)17-11-13-7-4-6-10-16(13)18(21-2)12-14-8-3-5-9-15(14)17/h3-11,18H,12,19H2,1-2H3/b17-11+.
What are the key properties of 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine?
1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine has a molecular weight of 280.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine is sourced from PubChem (CID 146385208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).