1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C13H15NO3 — CID 63688156

IUPAC1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCN(C=O)C1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C13H15NO3/c1-14(9-15)13(12(16)17)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3,(H,16,17)
InChIKeyPKSLLIIOFSZDTB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.39
Rot. Bonds3

About 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 63688156) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID63688156
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCN(C=O)C1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C13H15NO3/c1-14(9-15)13(12(16)17)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3,(H,16,17)
InChIKeyPKSLLIIOFSZDTB-UHFFFAOYSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[formyl(methyl)amino]-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 55232010
1-[formyl(methyl)amino]-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79247834
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183
1-(2-hydroxypropyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79425052
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114991852
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
1-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114989948
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 60993938
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868

Frequently Asked Questions

What is the IUPAC name of 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 63688156) is 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is CN(C=O)C1(C(=O)O)CCCc2ccccc21.
What is the InChIKey of 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is PKSLLIIOFSZDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(9-15)13(12(16)17)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9H,4,6,8H2,1H3,(H,16,17).
What are the key properties of 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[formyl(methyl)amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 63688156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).