(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione

C15H25NO2 — CID 162898578

IUPAC(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione
SMILESCCCCCCCC(=O)[C@@H](C)C(=O)N1C=CCC1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h8,11,13H,3-7,9-10,12H2,1-2H3/t13-/m1/s1
InChIKeyHMWIYUSLKIYYER-CYBMUJFWSA-N
MW251.37 g/mol
LogP3.30
Rot. Bonds8

About (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione

(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione (PubChem CID 162898578) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione
PubChem CID162898578
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione
SMILESCCCCCCCC(=O)[C@@H](C)C(=O)N1C=CCC1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h8,11,13H,3-7,9-10,12H2,1-2H3/t13-/m1/s1
InChIKeyHMWIYUSLKIYYER-CYBMUJFWSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione
CID 10037813
(E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
CID 10800632
(E,2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldec-8-ene-1,3-dione
CID 163025036
N-(2-methyl-3-oxodec-8-enoyl)-2-pyrroline
CID 53954211
3-Decanoyl-1-ethenylpyrrolidin-2-one
CID 86173868
N-(methyl-3-oxodecanoyl)-2-pyrroline
CID 137797200
(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
CID 10514913
N-but-3-enyl-N-methyl-2-oxocyclohexane-1-carboxamide
CID 10656018
1-Methyl-3-prop-2-enoyl-azacyclotridecan-2-one
CID 141023538
3-dodecyl-1-methyl-3H-pyrrol-2-one
CID 141439827
1-Cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione
CID 101072048

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione?
The IUPAC name of (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione (CID 162898578) is (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione.
What is the SMILES notation for (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione?
The canonical SMILES for (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione is CCCCCCCC(=O)[C@@H](C)C(=O)N1C=CCC1.
What is the InChIKey of (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione?
The InChIKey is HMWIYUSLKIYYER-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h8,11,13H,3-7,9-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione?
(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione has a molecular weight of 251.37 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione is sourced from PubChem (CID 162898578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).