N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride

C15H14ClN3O — CID 72735038

IUPACN-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H13N3O.ClH/c16-15(17)18-14(19)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12;/h1-7H,8H2,(H4,16,17,18,19);1H
InChIKeyVPYKKGSVLOVFNC-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.09
Rot. Bonds1

About N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride

N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride (PubChem CID 72735038) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride
PubChem CID72735038
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H13N3O.ClH/c16-15(17)18-14(19)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12;/h1-7H,8H2,(H4,16,17,18,19);1H
InChIKeyVPYKKGSVLOVFNC-UHFFFAOYSA-N
XLogP2.09
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride (CID 72735038) is N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride?
The InChIKey is VPYKKGSVLOVFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O.ClH/c16-15(17)18-14(19)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12;/h1-7H,8H2,(H4,16,17,18,19);1H.
What are the key properties of N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride?
N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-9H-fluorene-1-carboxamide;hydrochloride is sourced from PubChem (CID 72735038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).