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

C19H23NO2 — CID 98289017

IUPAC(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(N[C@H]1CCc2ccccc21)C1C[C@@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C19H23NO2/c21-18-13-5-3-6-14(18)11-15(10-13)19(22)20-17-9-8-12-4-1-2-7-16(12)17/h1-2,4,7,13-15,17H,3,5-6,8-11H2,(H,20,22)/t13-,14-,17-/m0/s1
InChIKeyKGFDCULDBLHITB-ZQIUZPCESA-N
MW297.40 g/mol
LogP3.19
Rot. Bonds2

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

(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 98289017) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID98289017
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(N[C@H]1CCc2ccccc21)C1C[C@@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C19H23NO2/c21-18-13-5-3-6-14(18)11-15(10-13)19(22)20-17-9-8-12-4-1-2-7-16(12)17/h1-2,4,7,13-15,17H,3,5-6,8-11H2,(H,20,22)/t13-,14-,17-/m0/s1
InChIKeyKGFDCULDBLHITB-ZQIUZPCESA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624
3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 63042686
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
CID 102560238
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 98289017) is (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is O=C(N[C@H]1CCc2ccccc21)C1C[C@@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is KGFDCULDBLHITB-ZQIUZPCESA-N. The full InChI is InChI=1S/C19H23NO2/c21-18-13-5-3-6-14(18)11-15(10-13)19(22)20-17-9-8-12-4-1-2-7-16(12)17/h1-2,4,7,13-15,17H,3,5-6,8-11H2,(H,20,22)/t13-,14-,17-/m0/s1.
What are the key properties of (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
(1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 98289017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).