1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride

C13H14Cl3NO — CID 140995624

IUPAC1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.NC(=O)c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C13H11NO.3ClH/c14-13(15)11-6-9-3-1-2-8-4-5-10(7-11)12(8)9;;;/h1-3,6-7H,4-5H2,(H2,14,15);3*1H
InChIKeyLTDQMNVBYNSGOE-UHFFFAOYSA-N
MW306.62 g/mol
LogP3.30
Rot. Bonds1

About 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride

1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride (PubChem CID 140995624) has the molecular formula C13H14Cl3NO and a molecular weight of 306.62 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride
PubChem CID140995624
Molecular FormulaC13H14Cl3NO
Molecular Weight306.62 g/mol
Exact Mass305.01
IUPAC Name1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.NC(=O)c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C13H11NO.3ClH/c14-13(15)11-6-9-3-1-2-8-4-5-10(7-11)12(8)9;;;/h1-3,6-7H,4-5H2,(H2,14,15);3*1H
InChIKeyLTDQMNVBYNSGOE-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride?
The IUPAC name of 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride (CID 140995624) is 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride.
What is the SMILES notation for 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride?
The canonical SMILES for 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride is Cl.Cl.Cl.NC(=O)c1cc2c3c(cccc3c1)CC2.
What is the InChIKey of 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride?
The InChIKey is LTDQMNVBYNSGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.3ClH/c14-13(15)11-6-9-3-1-2-8-4-5-10(7-11)12(8)9;;;/h1-3,6-7H,4-5H2,(H2,14,15);3*1H.
What are the key properties of 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride?
1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride has a molecular weight of 306.62 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride is sourced from PubChem (CID 140995624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).