(2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide

C12H19N3O2 — CID 134967598

IUPAC(2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
SMILESCCNC(=O)[C@@H]1[C@@H]2[C@H](C)N2C(=O)[C@@H]2CCCN12
InChIInChI=1S/C12H19N3O2/c1-3-13-11(16)10-9-7(2)15(9)12(17)8-5-4-6-14(8)10/h7-10H,3-6H2,1-2H3,(H,13,16)/t7-,8-,9-,10-,15?/m0/s1
InChIKeyKANKFOBKRMEEIV-MIYSNRQUSA-N
MW237.30 g/mol
LogP-0.43
Rot. Bonds2

About (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide

(2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide (PubChem CID 134967598) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
PubChem CID134967598
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
SMILESCCNC(=O)[C@@H]1[C@@H]2[C@H](C)N2C(=O)[C@@H]2CCCN12
InChIInChI=1S/C12H19N3O2/c1-3-13-11(16)10-9-7(2)15(9)12(17)8-5-4-6-14(8)10/h7-10H,3-6H2,1-2H3,(H,13,16)/t7-,8-,9-,10-,15?/m0/s1
InChIKeyKANKFOBKRMEEIV-MIYSNRQUSA-N
XLogP-0.43
TPSA52.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide 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

(2R,3S,4S,7S)-N-tert-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide
CID 46927400
(1R,4S,9R,13S)-2,8-diazatetracyclo[7.4.0.02,13.04,8]tridecan-3-one
CID 139247445
(2S,3S)-N-ethyl-3-fluoro-1-methylpyrrolidine-2-carboxamide;molecular hydrogen;propane
CID 171559129
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
CID 175675318
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42656575
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
CID 130557882
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide?
The IUPAC name of (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide (CID 134967598) is (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide is CCNC(=O)[C@@H]1[C@@H]2[C@H](C)N2C(=O)[C@@H]2CCCN12.
What is the InChIKey of (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide?
The InChIKey is KANKFOBKRMEEIV-MIYSNRQUSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-13-11(16)10-9-7(2)15(9)12(17)8-5-4-6-14(8)10/h7-10H,3-6H2,1-2H3,(H,13,16)/t7-,8-,9-,10-,15?/m0/s1.
What are the key properties of (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide?
(2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,7S)-N-ethyl-4-methyl-6-oxo-1,5-diazatricyclo[5.3.0.03,5]decane-2-carboxamide is sourced from PubChem (CID 134967598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).