1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine

C13H21N3 — CID 150849438

IUPAC1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine
SMILESCC=CC=CN(c1ccc[nH]1)N(CC)CC
InChIInChI=1S/C13H21N3/c1-4-7-8-12-16(15(5-2)6-3)13-10-9-11-14-13/h4,7-12,14H,5-6H2,1-3H3
InChIKeyKPSCGJGJTQEHCL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.17
Rot. Bonds6

About 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine

1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine (PubChem CID 150849438) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine.

Molecular Properties

Compound Name1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine
PubChem CID150849438
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine
SMILESCC=CC=CN(c1ccc[nH]1)N(CC)CC
InChIInChI=1S/C13H21N3/c1-4-7-8-12-16(15(5-2)6-3)13-10-9-11-14-13/h4,7-12,14H,5-6H2,1-3H3
InChIKeyKPSCGJGJTQEHCL-UHFFFAOYSA-N
XLogP3.17
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine?
The IUPAC name of 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine (CID 150849438) is 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine.
What is the SMILES notation for 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine?
The canonical SMILES for 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine is CC=CC=CN(c1ccc[nH]1)N(CC)CC.
What is the InChIKey of 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine?
The InChIKey is KPSCGJGJTQEHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-7-8-12-16(15(5-2)6-3)13-10-9-11-14-13/h4,7-12,14H,5-6H2,1-3H3.
What are the key properties of 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine?
1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine has a molecular weight of 219.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine is sourced from PubChem (CID 150849438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).