N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride

C14H18Cl2N2O — CID 175377849

IUPACN'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride
SMILESCC(C)NNC(=O)c1cc2cccccc-2c1.Cl.Cl
InChIInChI=1S/C14H16N2O.2ClH/c1-10(2)15-16-14(17)13-8-11-6-4-3-5-7-12(11)9-13;;/h3-10,15H,1-2H3,(H,16,17);2*1H
InChIKeyRGKZZWIFTVOSTB-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.28
Rot. Bonds3

About N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride

N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride (PubChem CID 175377849) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride.

Molecular Properties

Compound NameN'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride
PubChem CID175377849
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride
SMILESCC(C)NNC(=O)c1cc2cccccc-2c1.Cl.Cl
InChIInChI=1S/C14H16N2O.2ClH/c1-10(2)15-16-14(17)13-8-11-6-4-3-5-7-12(11)9-13;;/h3-10,15H,1-2H3,(H,16,17);2*1H
InChIKeyRGKZZWIFTVOSTB-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride?
The IUPAC name of N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride (CID 175377849) is N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride.
What is the SMILES notation for N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride?
The canonical SMILES for N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride is CC(C)NNC(=O)c1cc2cccccc-2c1.Cl.Cl.
What is the InChIKey of N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride?
The InChIKey is RGKZZWIFTVOSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.2ClH/c1-10(2)15-16-14(17)13-8-11-6-4-3-5-7-12(11)9-13;;/h3-10,15H,1-2H3,(H,16,17);2*1H.
What are the key properties of N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride?
N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride has a molecular weight of 301.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride is sourced from PubChem (CID 175377849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).