(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium

C12H16NO2+ — CID 163859823

IUPAC(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
SMILESCOC(=O)c1ccc2c(c1)CCCC2[NH3+]
InChIInChI=1S/C12H15NO2/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h5-7,11H,2-4,13H2,1H3/p+1
InChIKeyPBMWFDPFLABNFP-UHFFFAOYSA-O
MW206.27 g/mol
LogP1.09
Rot. Bonds1

About (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium

(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium (PubChem CID 163859823) has the molecular formula C12H16NO2+ and a molecular weight of 206.27 g/mol. Its IUPAC name is (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium.

Molecular Properties

Compound Name(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
PubChem CID163859823
Molecular FormulaC12H16NO2+
Molecular Weight206.27 g/mol
Exact Mass206.12
IUPAC Name(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
SMILESCOC(=O)c1ccc2c(c1)CCCC2[NH3+]
InChIInChI=1S/C12H15NO2/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h5-7,11H,2-4,13H2,1H3/p+1
InChIKeyPBMWFDPFLABNFP-UHFFFAOYSA-O
XLogP1.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
CID 86071683
ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 21289481
methyl 6-(2,4-difluorophenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxylate
CID 163262627
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl 4-cyclohexyl-3-methylbenzoate
CID 126540400
trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
methyl 5-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepine-8-carboxylate
CID 20824507
methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805276
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 130615296
5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 168737750
methyl 3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoylmethyl]benzoate
CID 120722237

Frequently Asked Questions

What is the IUPAC name of (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium?
The IUPAC name of (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium (CID 163859823) is (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium.
What is the SMILES notation for (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium?
The canonical SMILES for (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium is COC(=O)c1ccc2c(c1)CCCC2[NH3+].
What is the InChIKey of (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium?
The InChIKey is PBMWFDPFLABNFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h5-7,11H,2-4,13H2,1H3/p+1.
What are the key properties of (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium?
(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium has a molecular weight of 206.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium is sourced from PubChem (CID 163859823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).