ethane;naphthalene-2-carbohydrazide

C13H16N2O — CID 91601372

IUPACethane;naphthalene-2-carbohydrazide
SMILESCC.NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C11H10N2O.C2H6/c12-13-11(14)10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-7H,12H2,(H,13,14);1-2H3
InChIKeyZMPUKNAFSONKNJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.47
Rot. Bonds1

About ethane;naphthalene-2-carbohydrazide

ethane;naphthalene-2-carbohydrazide (PubChem CID 91601372) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is ethane;naphthalene-2-carbohydrazide.

Molecular Properties

Compound Nameethane;naphthalene-2-carbohydrazide
PubChem CID91601372
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Nameethane;naphthalene-2-carbohydrazide
SMILESCC.NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C11H10N2O.C2H6/c12-13-11(14)10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-7H,12H2,(H,13,14);1-2H3
InChIKeyZMPUKNAFSONKNJ-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propylnaphthalene-2-carboxamide
CID 6624536
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
ethane;methyl naphthalene-2-carboxylate
CID 143895262
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257

Frequently Asked Questions

What is the IUPAC name of ethane;naphthalene-2-carbohydrazide?
The IUPAC name of ethane;naphthalene-2-carbohydrazide (CID 91601372) is ethane;naphthalene-2-carbohydrazide.
What is the SMILES notation for ethane;naphthalene-2-carbohydrazide?
The canonical SMILES for ethane;naphthalene-2-carbohydrazide is CC.NNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethane;naphthalene-2-carbohydrazide?
The InChIKey is ZMPUKNAFSONKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.C2H6/c12-13-11(14)10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-7H,12H2,(H,13,14);1-2H3.
What are the key properties of ethane;naphthalene-2-carbohydrazide?
ethane;naphthalene-2-carbohydrazide has a molecular weight of 216.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalene-2-carbohydrazide is sourced from PubChem (CID 91601372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).