(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride

C12H12ClN — CID 67331166

IUPAC(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride
SMILESCl.N[C@@H]1Cc2cccc3cccc1c23
InChIInChI=1S/C12H11N.ClH/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9;/h1-6,11H,7,13H2;1H/t11-;/m1./s1
InChIKeyUPIABGRPUYYFBX-RFVHGSKJSA-N
MW205.69 g/mol
LogP2.82
Rot. Bonds

About (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride

(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride (PubChem CID 67331166) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride
PubChem CID67331166
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride
SMILESCl.N[C@@H]1Cc2cccc3cccc1c23
InChIInChI=1S/C12H11N.ClH/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9;/h1-6,11H,7,13H2;1H/t11-;/m1./s1
InChIKeyUPIABGRPUYYFBX-RFVHGSKJSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1,2-dihydroacenaphthylen-1-yl]methanamine
CID 92976167
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
CID 57063162
(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene
CID 129383948
11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene;pyrene
CID 87844442
7-phenyl-7,12-dihydropleiadene
CID 615155
[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
CID 7018923
1-(2-cyclohexylphenyl)-1,2-dihydroacenaphthylene
CID 174425493
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-amine
CID 42614042
2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene
CID 90914506
4-(4-iodobutyl)-4,5-dihydropyrene
CID 12847577
(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
CID 129404909

Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride?
The IUPAC name of (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride (CID 67331166) is (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride?
The canonical SMILES for (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride is Cl.N[C@@H]1Cc2cccc3cccc1c23.
What is the InChIKey of (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride?
The InChIKey is UPIABGRPUYYFBX-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H11N.ClH/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9;/h1-6,11H,7,13H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride?
(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride is sourced from PubChem (CID 67331166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).