(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione

C19H32N2O2 — CID 101105681

IUPAC(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione
SMILESC=C(C[C@@H](C)C(=O)N1CCCC1)[C@H](C)[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C19H32N2O2/c1-14(13-15(2)18(22)20-9-5-6-10-20)16(3)17(4)19(23)21-11-7-8-12-21/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-/m1/s1
InChIKeyTWMHYQNSHKAQGK-IXDOHACOSA-N
MW320.48 g/mol
LogP3.09
Rot. Bonds6

About (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione

(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione (PubChem CID 101105681) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione.

Molecular Properties

Compound Name(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione
PubChem CID101105681
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione
SMILESC=C(C[C@@H](C)C(=O)N1CCCC1)[C@H](C)[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C19H32N2O2/c1-14(13-15(2)18(22)20-9-5-6-10-20)16(3)17(4)19(23)21-11-7-8-12-21/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-/m1/s1
InChIKeyTWMHYQNSHKAQGK-IXDOHACOSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione with MolForge

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Related Compounds

1-(2-Methyl-3-methylidenecyclopentanecarbonyl)pyrrolidin-2-one
CID 559802
Pyrrolidin-2-one, N-(2-methyl-4-methylenecyclopentanoyl)-
CID 578866
Pyrrolidin-2-one, trans-N-(2-methyl-3-methylenecyclopentanecarbonyl)-
CID 91698978
1-[3-(Dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
CID 59263703
4-Butyl-1-ethenylpyrrolidin-2-one;3-ethenyl-1-ethylpyrrolidin-2-one
CID 67831116
1-[3-(Dimethylamino)propyl]-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine-2,5-dione
CID 68026228
6-Methyl-2-[6-(6-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindol-2-yl)hexyl]-3a,4,5,7a-tetrahydroisoindole-1,3-dione
CID 117692904
3-tert-butyl-5-methylidene-1-[7-[(3S)-3-methylpyrrolidin-1-yl]-7-oxoheptyl]pyrrolidin-2-one
CID 134403418
1-[3-(Dimethylamino)propyl]-3-(4,5,5,7,7-pentamethyl-2-methylideneoctyl)pyrrolidine-2,5-dione
CID 134549324
11-methyl-N-octyl-2-(9-oxodecyl)-N-(3-pyrrolidin-1-ylpropyl)dodec-11-enamide
CID 142402227
1-[3-(Dimethylamino)propyl]-3-(4,5,5,7,8,8-hexamethyl-2-methylidenenonyl)pyrrolidine-2,5-dione
CID 155238029
Methane;1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 157758371

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione?
The IUPAC name of (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione (CID 101105681) is (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione.
What is the SMILES notation for (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione?
The canonical SMILES for (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione is C=C(C[C@@H](C)C(=O)N1CCCC1)[C@H](C)[C@@H](C)C(=O)N1CCCC1.
What is the InChIKey of (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione?
The InChIKey is TWMHYQNSHKAQGK-IXDOHACOSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14(13-15(2)18(22)20-9-5-6-10-20)16(3)17(4)19(23)21-11-7-8-12-21/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-/m1/s1.
What are the key properties of (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione?
(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione has a molecular weight of 320.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dipyrrolidin-1-ylheptane-1,7-dione is sourced from PubChem (CID 101105681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).