(1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C19H21NO2 — CID 639348

IUPAC(1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12
InChIInChI=1S/C19H21NO2/c1-11(2)15-13-8-9-14(15)17-16(13)18(21)20(19(17)22)10-12-6-4-3-5-7-12/h3-7,13-14,16-17H,8-10H2,1-2H3/t13-,14+,16+,17-
InChIKeyIWIXWONYTNNGRC-ULAZLLGUSA-N
MW295.38 g/mol
LogP3.16
Rot. Bonds2

About (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

(1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 639348) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID639348
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12
InChIInChI=1S/C19H21NO2/c1-11(2)15-13-8-9-14(15)17-16(13)18(21)20(19(17)22)10-12-6-4-3-5-7-12/h3-7,13-14,16-17H,8-10H2,1-2H3/t13-,14+,16+,17-
InChIKeyIWIXWONYTNNGRC-ULAZLLGUSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione 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

1-Benzyl-4-phenylpyrrolidin-2-one
CID 2843346
2-benzylhexahydro-1H-isoindole-1,3(2H)-dione
CID 3107627
4'-(2-Phenylethyl)-4'-azaspiro[cyclopropane-1,10'-tricyclo[5.2.1.0~2,6~]decane]-8'-ene-3',5'-dione
CID 2856677
4-Benzyl-10-(diphenylmethylene)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2871449
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2924797
N-benzyl-2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide
CID 2925838
4-Benzyl-10-cyclohexylidene-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2962986
2-benzylhexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 4523585
N-benzyl-N-butyl-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 4608154
2-(2-(4-benzylpiperazin-1-yl)-2-oxoethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2906056
1-Benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2849902
2-benzyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2836808

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 639348) is (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12.
What is the InChIKey of (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is IWIXWONYTNNGRC-ULAZLLGUSA-N. The full InChI is InChI=1S/C19H21NO2/c1-11(2)15-13-8-9-14(15)17-16(13)18(21)20(19(17)22)10-12-6-4-3-5-7-12/h3-7,13-14,16-17H,8-10H2,1-2H3/t13-,14+,16+,17-.
What are the key properties of (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
(1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 295.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S)-4-benzyl-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 639348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).