3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H23ClN2O2 — CID 119685138

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C17H22N2O2.ClH/c18-16-11-6-5-10(9-11)15(16)17(20)19-13-7-8-21-14-4-2-1-3-12(13)14;/h1-4,10-11,13,15-16H,5-9,18H2,(H,19,20);1H
InChIKeyZUZRBKDDDIAWFV-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.42
Rot. Bonds2

About 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119685138) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119685138
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C17H22N2O2.ClH/c18-16-11-6-5-10(9-11)15(16)17(20)19-13-7-8-21-14-4-2-1-3-12(13)14;/h1-4,10-11,13,15-16H,5-9,18H2,(H,19,20);1H
InChIKeyZUZRBKDDDIAWFV-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119685138) is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NC1CCOc2ccccc21.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is ZUZRBKDDDIAWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c18-16-11-6-5-10(9-11)15(16)17(20)19-13-7-8-21-14-4-2-1-3-12(13)14;/h1-4,10-11,13,15-16H,5-9,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119685138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).