3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one

C13H16N2O — CID 67865970

IUPAC3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESC=CC(N)C1C(=O)C(N)Cc2ccccc21
InChIInChI=1S/C13H16N2O/c1-2-10(14)12-9-6-4-3-5-8(9)7-11(15)13(12)16/h2-6,10-12H,1,7,14-15H2
InChIKeyHVGWZWLONKMQMT-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.74
Rot. Bonds2

About 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one

3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 67865970) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID67865970
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESC=CC(N)C1C(=O)C(N)Cc2ccccc21
InChIInChI=1S/C13H16N2O/c1-2-10(14)12-9-6-4-3-5-8(9)7-11(15)13(12)16/h2-6,10-12H,1,7,14-15H2
InChIKeyHVGWZWLONKMQMT-UHFFFAOYSA-N
XLogP0.74
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 66628472
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one
CID 19995564
bicyclo[4.2.0]octa-1,3,5-trien-7-amine;pyrrole-2,5-dione
CID 159649198
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)propanoic acid
CID 66419315
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)propan-2-amine
CID 66419915
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hexan-2-amine
CID 79413170
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pent-4-en-2-ol
CID 116659873
4-amino-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanoic acid
CID 104680979
4-iodo-3,4-dihydro-1H-naphthalen-2-one
CID 138626469

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one (CID 67865970) is 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one is C=CC(N)C1C(=O)C(N)Cc2ccccc21.
What is the InChIKey of 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is HVGWZWLONKMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-10(14)12-9-6-4-3-5-8(9)7-11(15)13(12)16/h2-6,10-12H,1,7,14-15H2.
What are the key properties of 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one?
3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 216.28 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 67865970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).