(E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine

C13H15N3O — CID 135422627

IUPAC(E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine
SMILESCOc1ccc2[nH]c3c(c2c1)CCC/C3=N\N
InChIInChI=1S/C13H15N3O/c1-17-8-5-6-11-10(7-8)9-3-2-4-12(16-14)13(9)15-11/h5-7,15H,2-4,14H2,1H3/b16-12+
InChIKeyPNNZEUNXMCNLOQ-FOWTUZBSSA-N
MW229.28 g/mol
LogP2.18
Rot. Bonds1

About (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine

(E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine (PubChem CID 135422627) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine.

Molecular Properties

Compound Name(E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine
PubChem CID135422627
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine
SMILESCOc1ccc2[nH]c3c(c2c1)CCC/C3=N\N
InChIInChI=1S/C13H15N3O/c1-17-8-5-6-11-10(7-8)9-3-2-4-12(16-14)13(9)15-11/h5-7,15H,2-4,14H2,1H3/b16-12+
InChIKeyPNNZEUNXMCNLOQ-FOWTUZBSSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine?
The IUPAC name of (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine (CID 135422627) is (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine.
What is the SMILES notation for (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine?
The canonical SMILES for (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine is COc1ccc2[nH]c3c(c2c1)CCC/C3=N\N.
What is the InChIKey of (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine?
The InChIKey is PNNZEUNXMCNLOQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-8-5-6-11-10(7-8)9-3-2-4-12(16-14)13(9)15-11/h5-7,15H,2-4,14H2,1H3/b16-12+.
What are the key properties of (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine?
(E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine has a molecular weight of 229.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(6-methoxy-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydrazine is sourced from PubChem (CID 135422627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).