(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C19H23NO2 — CID 8920716

IUPAC(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C19H23NO2/c21-18-14-5-2-6-15(18)10-16(9-14)19(22)20-17-8-7-12-3-1-4-13(12)11-17/h7-8,11,14-16H,1-6,9-10H2,(H,20,22)/t14-,15+,16?
InChIKeyQHXZDLMUGHSBMK-XYPWUTKMSA-N
MW297.40 g/mol
LogP3.51
Rot. Bonds2

About (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 8920716) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID8920716
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C19H23NO2/c21-18-14-5-2-6-15(18)10-16(9-14)19(22)20-17-8-7-12-3-1-4-13(12)11-17/h7-8,11,14-16H,1-6,9-10H2,(H,20,22)/t14-,15+,16?
InChIKeyQHXZDLMUGHSBMK-XYPWUTKMSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187043
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 8738665
3-amino-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115161265
(1R,5R)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802951
(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802950
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 8780774
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 8920716) is (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)C1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is QHXZDLMUGHSBMK-XYPWUTKMSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18-14-5-2-6-15(18)10-16(9-14)19(22)20-17-8-7-12-3-1-4-13(12)11-17/h7-8,11,14-16H,1-6,9-10H2,(H,20,22)/t14-,15+,16?.
What are the key properties of (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 8920716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).