1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C15H26N2O2 — CID 3239387

IUPAC1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-3-11(2)17-10-12(9-14(17)18)15(19)16-13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyBUPLYGVYBYQLMQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds4

About 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide

1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3239387) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3239387
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-3-11(2)17-10-12(9-14(17)18)15(19)16-13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyBUPLYGVYBYQLMQ-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 3239387) is 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is CCC(C)N1CC(C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BUPLYGVYBYQLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-11(2)17-10-12(9-14(17)18)15(19)16-13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3239387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).