N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride

C17H16ClN3O — CID 118717218

IUPACN-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2
InChIInChI=1S/C17H15N3O.ClH/c18-16(19)20-15(21)10-5-6-12-11-3-1-2-4-13(11)17(7-8-17)14(12)9-10;/h1-6,9H,7-8H2,(H4,18,19,20,21);1H
InChIKeyUKHMQGVNMNPFNO-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.58
Rot. Bonds1

About N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride

N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride (PubChem CID 118717218) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride
PubChem CID118717218
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2
InChIInChI=1S/C17H15N3O.ClH/c18-16(19)20-15(21)10-5-6-12-11-3-1-2-4-13(11)17(7-8-17)14(12)9-10;/h1-6,9H,7-8H2,(H4,18,19,20,21);1H
InChIKeyUKHMQGVNMNPFNO-UHFFFAOYSA-N
XLogP2.58
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

N-(diaminomethylene)-9-oxo-9H-fluorene-2-carboxamide
CID 23151734
N-(diaminomethylidene)-9-fluoro-9H-fluorene-2-carboxamide;hydrochloride
CID 118706298
N-(diaminomethylidene)-9H-fluorene-2-carboxamide
CID 72734860
9h-Fluorene-4-carboxamide
CID 799224
N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride
CID 72735038
N-(diaminomethylidene)-9H-fluorene-4-carboxamide;hydrochloride
CID 72735040
9-amino-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride
CID 118706297
N-(diaminomethylidene)-9-methyl-9H-fluorene-2-carboxamide;hydrochloride
CID 118706300
N-(diaminomethylidene)spiro[cyclopentane-1,9'-fluorene]-2'-carboxamide;hydrochloride
CID 118717219
N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride
CID 118717222
Magmas-IN-1
CID 46927910
N-(diaminomethylidene)-4-[(3-ethyl-2,4,4-trimethylcyclohexyl)methyl]benzamide
CID 90676377

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride (CID 118717218) is N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2.
What is the InChIKey of N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride?
The InChIKey is UKHMQGVNMNPFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O.ClH/c18-16(19)20-15(21)10-5-6-12-11-3-1-2-4-13(11)17(7-8-17)14(12)9-10;/h1-6,9H,7-8H2,(H4,18,19,20,21);1H.
What are the key properties of N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride?
N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)spiro[cyclopropane-1,9'-fluorene]-2'-carboxamide;hydrochloride is sourced from PubChem (CID 118717218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).