2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one

C10H9Cl2NO — CID 14976596

IUPAC2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one
SMILESNC1CCc2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C10H9Cl2NO/c11-7-3-5-1-2-9(13)10(14)6(5)4-8(7)12/h3-4,9H,1-2,13H2
InChIKeyUVCAGRNUEVAPAJ-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.45
Rot. Bonds

About 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one

2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 14976596) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one
PubChem CID14976596
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one
SMILESNC1CCc2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C10H9Cl2NO/c11-7-3-5-1-2-9(13)10(14)6(5)4-8(7)12/h3-4,9H,1-2,13H2
InChIKeyUVCAGRNUEVAPAJ-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dichloro-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984515
2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
CID 19036426
(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine
CID 130632447
2-(2-aminopropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-one
CID 21146145
5-tert-butyl-2,3-dihydro-1H-inden-1-amine;5-tert-butyl-2,3-dihydroinden-1-one
CID 162255889
2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
CID 143073531
(NE)-N-(6,7-dichloro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 14976592
5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 67762900
2-(5,6-dichloro-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 123427549
(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione
CID 39221355
2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 63399483
6,7-dichloro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 150751811

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one (CID 14976596) is 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one is NC1CCc2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UVCAGRNUEVAPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-7-3-5-1-2-9(13)10(14)6(5)4-8(7)12/h3-4,9H,1-2,13H2.
What are the key properties of 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one?
2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 230.09 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 14976596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).