N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride

C19H20ClN3O2 — CID 118717222

IUPACN-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2
InChIInChI=1S/C19H19N3O2.ClH/c20-18(21)22-17(23)12-5-6-14-13-3-1-2-4-15(13)19(16(14)11-12)7-9-24-10-8-19;/h1-6,11H,7-10H2,(H4,20,21,22,23);1H
InChIKeyNATACNZSBHMGRV-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.60
Rot. Bonds1

About N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride

N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride (PubChem CID 118717222) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride
PubChem CID118717222
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2
InChIInChI=1S/C19H19N3O2.ClH/c20-18(21)22-17(23)12-5-6-14-13-3-1-2-4-15(13)19(16(14)11-12)7-9-24-10-8-19;/h1-6,11H,7-10H2,(H4,20,21,22,23);1H
InChIKeyNATACNZSBHMGRV-UHFFFAOYSA-N
XLogP2.60
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride (CID 118717222) is N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc2c(c1)C1(CCOCC1)c1ccccc1-2.
What is the InChIKey of N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride?
The InChIKey is NATACNZSBHMGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.ClH/c20-18(21)22-17(23)12-5-6-14-13-3-1-2-4-15(13)19(16(14)11-12)7-9-24-10-8-19;/h1-6,11H,7-10H2,(H4,20,21,22,23);1H.
What are the key properties of N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride?
N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)spiro[fluorene-9,4'-oxane]-2-carboxamide;hydrochloride is sourced from PubChem (CID 118717222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).