1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde

C16H20N4O — CID 88654935

IUPAC1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde
SMILESCCN(N)CC.O=Cc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C12H8N2O.C4H12N2/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8;1-3-6(5)4-2/h1-7,14H;3-5H2,1-2H3
InChIKeyBLXMIZGMIZYQMP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.73
Rot. Bonds3

About 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde

1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde (PubChem CID 88654935) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde.

Molecular Properties

Compound Name1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde
PubChem CID88654935
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde
SMILESCCN(N)CC.O=Cc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C12H8N2O.C4H12N2/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8;1-3-6(5)4-2/h1-7,14H;3-5H2,1-2H3
InChIKeyBLXMIZGMIZYQMP-UHFFFAOYSA-N
XLogP2.73
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde?
The IUPAC name of 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde (CID 88654935) is 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde.
What is the SMILES notation for 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde?
The canonical SMILES for 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde is CCN(N)CC.O=Cc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde?
The InChIKey is BLXMIZGMIZYQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O.C4H12N2/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8;1-3-6(5)4-2/h1-7,14H;3-5H2,1-2H3.
What are the key properties of 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde?
1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde has a molecular weight of 284.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylhydrazine;9H-pyrido[3,4-b]indole-3-carbaldehyde is sourced from PubChem (CID 88654935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).