3-amino-4-naphthalen-1-ylbutan-2-one

C14H15NO — CID 90132705

IUPAC3-amino-4-naphthalen-1-ylbutan-2-one
SMILESCC(=O)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C14H15NO/c1-10(16)14(15)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9,15H2,1H3
InChIKeySOCQGYBXMSTAFG-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.30
Rot. Bonds3

About 3-amino-4-naphthalen-1-ylbutan-2-one

3-amino-4-naphthalen-1-ylbutan-2-one (PubChem CID 90132705) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-4-naphthalen-1-ylbutan-2-one.

Molecular Properties

Compound Name3-amino-4-naphthalen-1-ylbutan-2-one
PubChem CID90132705
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-amino-4-naphthalen-1-ylbutan-2-one
SMILESCC(=O)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C14H15NO/c1-10(16)14(15)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9,15H2,1H3
InChIKeySOCQGYBXMSTAFG-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
(3S)-3-amino-4-(2-ethylphenyl)butan-2-one
CID 177035778
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
CID 161034514
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
acetyl 2-hydroxy-3-naphthalen-1-ylpropanoate
CID 139612906
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 10314783
(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide
CID 140518585
[1-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylbutyl]boronic acid
CID 3745541
(3S)-3-amino-4-(2-cyclopropylphenyl)butan-2-one
CID 90076481
amino 2-methyl-3-naphthalen-1-ylpropanoate
CID 174381788
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-naphthalen-1-ylbutan-2-one?
The IUPAC name of 3-amino-4-naphthalen-1-ylbutan-2-one (CID 90132705) is 3-amino-4-naphthalen-1-ylbutan-2-one.
What is the SMILES notation for 3-amino-4-naphthalen-1-ylbutan-2-one?
The canonical SMILES for 3-amino-4-naphthalen-1-ylbutan-2-one is CC(=O)C(N)Cc1cccc2ccccc12.
What is the InChIKey of 3-amino-4-naphthalen-1-ylbutan-2-one?
The InChIKey is SOCQGYBXMSTAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10(16)14(15)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9,15H2,1H3.
What are the key properties of 3-amino-4-naphthalen-1-ylbutan-2-one?
3-amino-4-naphthalen-1-ylbutan-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-naphthalen-1-ylbutan-2-one is sourced from PubChem (CID 90132705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).