1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

C19H31N3O3 — CID 71872085

IUPAC1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCCC1CN(C(=O)C2CC(=O)N(CC3CC3)C2)CC1N1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-2-15-11-22(13-17(15)20-5-7-25-8-6-20)19(24)16-9-18(23)21(12-16)10-14-3-4-14/h14-17H,2-13H2,1H3
InChIKeyANRKRRBGMMWSHX-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.81
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 71872085) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID71872085
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCCC1CN(C(=O)C2CC(=O)N(CC3CC3)C2)CC1N1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-2-15-11-22(13-17(15)20-5-7-25-8-6-20)19(24)16-9-18(23)21(12-16)10-14-3-4-14/h14-17H,2-13H2,1H3
InChIKeyANRKRRBGMMWSHX-UHFFFAOYSA-N
XLogP0.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 71872085) is 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one is CCC1CN(C(=O)C2CC(=O)N(CC3CC3)C2)CC1N1CCOCC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ANRKRRBGMMWSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-2-15-11-22(13-17(15)20-5-7-25-8-6-20)19(24)16-9-18(23)21(12-16)10-14-3-4-14/h14-17H,2-13H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 349.48 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 71872085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).