6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one

C14H17NO — CID 170487625

IUPAC6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESNCCC=Cc1ccc2c(c1)CCC(=O)C2
InChIInChI=1S/C14H17NO/c15-8-2-1-3-11-4-5-13-10-14(16)7-6-12(13)9-11/h1,3-5,9H,2,6-8,10,15H2
InChIKeySLHYMLRMDYHBMH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.11
Rot. Bonds3

About 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one

6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 170487625) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID170487625
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESNCCC=Cc1ccc2c(c1)CCC(=O)C2
InChIInChI=1S/C14H17NO/c15-8-2-1-3-11-4-5-13-10-14(16)7-6-12(13)9-11/h1,3-5,9H,2,6-8,10,15H2
InChIKeySLHYMLRMDYHBMH-UHFFFAOYSA-N
XLogP2.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
CID 170498148
N-[4-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)but-3-enyl]acetamide
CID 170489393
S-[3-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)prop-2-enyl] ethanethioate
CID 169457926
6-[(E)-5-aminopent-1-enyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82294405
3-(3-bromoprop-1-enyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 169475031
3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 71332157
4-(4-aminobut-1-enyl)benzaldehyde
CID 170486569
2-(4-aminobut-1-enyl)fluoren-9-one
CID 170487895
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
CID 170487945
4-(3-fluoro-4-methylphenyl)but-3-en-1-amine
CID 76997063
3-[(1Z,3Z)-4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)buta-1,3-dienyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58696689

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one (CID 170487625) is 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one is NCCC=Cc1ccc2c(c1)CCC(=O)C2.
What is the InChIKey of 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is SLHYMLRMDYHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-8-2-1-3-11-4-5-13-10-14(16)7-6-12(13)9-11/h1,3-5,9H,2,6-8,10,15H2.
What are the key properties of 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one?
6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 170487625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).