5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride

C11H13ClN2O — CID 18937912

IUPAC5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc2c1CCCC2=O
InChIInChI=1S/C11H12N2O.ClH/c12-11(13)9-5-1-4-8-7(9)3-2-6-10(8)14;/h1,4-5H,2-3,6H2,(H3,12,13);1H
InChIKeyWEKHLJQDSUVDMQ-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.91
Rot. Bonds1

About 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride

5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride (PubChem CID 18937912) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
PubChem CID18937912
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc2c1CCCC2=O
InChIInChI=1S/C11H12N2O.ClH/c12-11(13)9-5-1-4-8-7(9)3-2-6-10(8)14;/h1,4-5H,2-3,6H2,(H3,12,13);1H
InChIKeyWEKHLJQDSUVDMQ-UHFFFAOYSA-N
XLogP1.91
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide
CID 19042291
5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide
CID 57164337
5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride
CID 67672739
9,10-dioxoanthracene-2,3-dicarboximidamide
CID 152601753
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-1-yl)thiourea
CID 169356155
1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 67721601
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045
5-ethynyl-3,4-dihydro-2H-naphthalen-1-one
CID 21414823
biphenylene-1,8-dicarboximidamide
CID 71696896
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride?
The IUPAC name of 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride (CID 18937912) is 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride.
What is the SMILES notation for 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride?
The canonical SMILES for 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc2c1CCCC2=O.
What is the InChIKey of 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride?
The InChIKey is WEKHLJQDSUVDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c12-11(13)9-5-1-4-8-7(9)3-2-6-10(8)14;/h1,4-5H,2-3,6H2,(H3,12,13);1H.
What are the key properties of 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride?
5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride is sourced from PubChem (CID 18937912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).