N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide

C15H23NO2 — CID 15548455

IUPACN,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide
SMILESCCN(CC)C(=O)C12C(=O)CCC1C1CCCC12
InChIInChI=1S/C15H23NO2/c1-3-16(4-2)14(18)15-11-7-5-6-10(11)12(15)8-9-13(15)17/h10-12H,3-9H2,1-2H3
InChIKeyVBTADIVDUUUYCU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.25
Rot. Bonds3

About N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide

N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide (PubChem CID 15548455) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide
PubChem CID15548455
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide
SMILESCCN(CC)C(=O)C12C(=O)CCC1C1CCCC12
InChIInChI=1S/C15H23NO2/c1-3-16(4-2)14(18)15-11-7-5-6-10(11)12(15)8-9-13(15)17/h10-12H,3-9H2,1-2H3
InChIKeyVBTADIVDUUUYCU-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1S,5S,6S)-6-methyl-2-oxobicyclo[3.1.0]hexane-1-carboxylic acid
CID 90968014
7,7-diethylbicyclo[3.2.0]heptan-6-ol
CID 81421329
3-[(3R,3aS,5aR,6S,9aR,9bR)-3-(diethylcarbamoyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
CID 11890886
3-[(3S,3aS,5aR,6S,9aR,9bR)-3-(diethylcarbamoyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
CID 11890888
cyclobutyl N,N-diethylcarbamate
CID 89379531
(4aS,4bS,6aS,7S,10aS,10bS,12aR)-N,N-diethyl-1,4a,6a-trimethyl-2-oxo-3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinazoline-7-carboxamide
CID 118718219
(1S,4aR,8aS)-N,N-diethyl-4a-methyl-6-methylidene-2-oxo-3,4,5,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide
CID 11369449
N,N-diethyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 13391386
ethyl 3-[(1S,2S,6S,7R)-2-hydroxy-3-tricyclo[5.3.0.02,6]decanylidene]prop-2-enoate
CID 102588966
N-ethyl-N-(2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 19245426
N,N-diethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545752
1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097273

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide?
The IUPAC name of N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide (CID 15548455) is N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide?
The canonical SMILES for N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide is CCN(CC)C(=O)C12C(=O)CCC1C1CCCC12.
What is the InChIKey of N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide?
The InChIKey is VBTADIVDUUUYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16(4-2)14(18)15-11-7-5-6-10(11)12(15)8-9-13(15)17/h10-12H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide?
N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide has a molecular weight of 249.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-10-oxotricyclo[5.3.0.02,6]decane-1-carboxamide is sourced from PubChem (CID 15548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).