1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone

C19H31NO2 — CID 75432919

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(C1CCC2CCCCC2C1)N1CC2CCCC(C1)C2O
InChIInChI=1S/C19H31NO2/c21-18-16-6-3-7-17(18)12-20(11-16)19(22)15-9-8-13-4-1-2-5-14(13)10-15/h13-18,21H,1-12H2
InChIKeyQTTLWWJRFJZLRR-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.21
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 75432919) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID75432919
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(C1CCC2CCCCC2C1)N1CC2CCCC(C1)C2O
InChIInChI=1S/C19H31NO2/c21-18-16-6-3-7-17(18)12-20(11-16)19(22)15-9-8-13-4-1-2-5-14(13)10-15/h13-18,21H,1-12H2
InChIKeyQTTLWWJRFJZLRR-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11890050
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 109480175
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone
CID 114960256
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406843
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755
(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclohexyl)methanone
CID 114962205
4-[3-(4-carboxycyclohexyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 22445971
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]cyclohexyl]methanone
CID 140646796
potassium;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;cyclobutane;cyclopentane
CID 142046655
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-1-one
CID 114962133
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 75432919) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone is O=C(C1CCC2CCCCC2C1)N1CC2CCCC(C1)C2O.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is QTTLWWJRFJZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c21-18-16-6-3-7-17(18)12-20(11-16)19(22)15-9-8-13-4-1-2-5-14(13)10-15/h13-18,21H,1-12H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 305.46 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 75432919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).