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

C12H13NO — CID 130040392

IUPAC4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESC=Cc1ccc2c(c1)C(=O)CCC2N
InChIInChI=1S/C12H13NO/c1-2-8-3-4-9-10(7-8)12(14)6-5-11(9)13/h2-4,7,11H,1,5-6,13H2
InChIKeyWXBQNBIEJWJBLS-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.31
Rot. Bonds1

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

4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 130040392) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID130040392
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESC=Cc1ccc2c(c1)C(=O)CCC2N
InChIInChI=1S/C12H13NO/c1-2-8-3-4-9-10(7-8)12(14)6-5-11(9)13/h2-4,7,11H,1,5-6,13H2
InChIKeyWXBQNBIEJWJBLS-UHFFFAOYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-diamino-3,4-dihydro-2H-naphthalen-1-one
CID 130040403
4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 130040409
(1S)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130914652
3-amino-5-ethenyl-2,3-dihydroinden-1-one
CID 130001182
4-amino-6-iodo-3,4-dihydro-2H-naphthalen-1-one
CID 130040415
1-amino-2,3-dihydro-1H-indene-5-carbaldehyde
CID 56947686
1,2-dicyclohexyl-4-ethenylbenzene
CID 23508601
7-ethenyl-2,3-dihydrothiochromen-4-one
CID 22323788
4-amino-5,6-dihydro-4H-1-benzothiophen-7-one
CID 23347796
4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one
CID 82505065
5-tert-butyl-2,3-dihydro-1H-inden-1-amine;5-tert-butyl-2,3-dihydroinden-1-one
CID 162255889
5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 67762900

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one (CID 130040392) is 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one is C=Cc1ccc2c(c1)C(=O)CCC2N.
What is the InChIKey of 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WXBQNBIEJWJBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-8-3-4-9-10(7-8)12(14)6-5-11(9)13/h2-4,7,11H,1,5-6,13H2.
What are the key properties of 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one?
4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 187.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-ethenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 130040392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).