2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one

C17H25NO2 — CID 10084794

IUPAC2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one
SMILESC=CCCCC1=C(C(=O)N2[C@H](C)CC[C@H]2C)C(=O)CC1
InChIInChI=1S/C17H25NO2/c1-4-5-6-7-14-10-11-15(19)16(14)17(20)18-12(2)8-9-13(18)3/h4,12-13H,1,5-11H2,2-3H3/t12-,13-/m1/s1
InChIKeyFCDZFEQLFRGGJO-CHWSQXEVSA-N
MW275.39 g/mol
LogP3.40
Rot. Bonds5

About 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one

2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one (PubChem CID 10084794) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one
PubChem CID10084794
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one
SMILESC=CCCCC1=C(C(=O)N2[C@H](C)CC[C@H]2C)C(=O)CC1
InChIInChI=1S/C17H25NO2/c1-4-5-6-7-14-10-11-15(19)16(14)17(20)18-12(2)8-9-13(18)3/h4,12-13H,1,5-11H2,2-3H3/t12-,13-/m1/s1
InChIKeyFCDZFEQLFRGGJO-CHWSQXEVSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

Sclerolizine
CID 139585663
Pyreudione D
CID 146682053
(E)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-14-iodotetradec-2-ene-1,4-dione
CID 135078769
(E)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-15-iodopentadec-2-ene-1,4-dione
CID 135078981
2-(Cyclohex-2-en-1-yl)-4-hexanoyl-5-methyl-3-oxo-3H-pyrazol-2-ium
CID 53440766
1-Pyrrolidin-1-yloctadec-2-ene-1,12-dione
CID 163023630
5-oxo-N,N-di(propan-2-yl)cyclopentene-1-carboxamide
CID 15548451
6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide
CID 15548452
1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 11289782
1-heptyl-5-[(E)-3-oxooct-1-enyl]pyrrolidin-2-one
CID 21854874
1-[(Z)-hept-2-enyl]-5-[(E)-3-oxooct-1-enyl]pyrrolidin-2-one
CID 68235764
1-(2,5-Dimethyl-2,5-dihydropyrrol-1-yl)dodecane-1,3-dione
CID 87567624

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one?
The IUPAC name of 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one (CID 10084794) is 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one?
The canonical SMILES for 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one is C=CCCCC1=C(C(=O)N2[C@H](C)CC[C@H]2C)C(=O)CC1.
What is the InChIKey of 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one?
The InChIKey is FCDZFEQLFRGGJO-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-5-6-7-14-10-11-15(19)16(14)17(20)18-12(2)8-9-13(18)3/h4,12-13H,1,5-11H2,2-3H3/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one?
2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-pent-4-enylcyclopent-2-en-1-one is sourced from PubChem (CID 10084794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).