1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide

C15H24N2O3 — CID 43419586

IUPAC1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H24N2O3/c18-13-5-3-12(4-6-13)16-15(20)11-7-14(19)17(9-11)8-10-1-2-10/h10-13,18H,1-9H2,(H,16,20)
InChIKeyJHYHGKRBNVGIHK-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.66
Rot. Bonds4

About 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide

1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43419586) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43419586
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H24N2O3/c18-13-5-3-12(4-6-13)16-15(20)11-7-14(19)17(9-11)8-10-1-2-10/h10-13,18H,1-9H2,(H,16,20)
InChIKeyJHYHGKRBNVGIHK-UHFFFAOYSA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 43419586) is 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCC(O)CC1)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JHYHGKRBNVGIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-13-5-3-12(4-6-13)16-15(20)11-7-14(19)17(9-11)8-10-1-2-10/h10-13,18H,1-9H2,(H,16,20).
What are the key properties of 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(4-hydroxycyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43419586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).