1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C11H12ClNO2 — CID 83911212

IUPAC1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC1(C(=O)O)CCCc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO2/c12-8-3-4-9-7(6-8)2-1-5-11(9,13)10(14)15/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyJOVVFMFLPKMVEM-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.91
Rot. Bonds1

About 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 83911212) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID83911212
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC1(C(=O)O)CCCc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO2/c12-8-3-4-9-7(6-8)2-1-5-11(9,13)10(14)15/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyJOVVFMFLPKMVEM-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 83911212) is 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid is NC1(C(=O)O)CCCc2cc(Cl)ccc21.
What is the InChIKey of 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is JOVVFMFLPKMVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-8-3-4-9-7(6-8)2-1-5-11(9,13)10(14)15/h3-4,6H,1-2,5,13H2,(H,14,15).
What are the key properties of 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 225.68 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 1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 83911212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).