1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide

C11H15N3O3 — CID 178063015

IUPAC1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCC(=O)N2CCC(O)C2)CC1
InChIInChI=1S/C11H15N3O3/c12-7-11(2-3-11)10(17)13-5-9(16)14-4-1-8(15)6-14/h8,15H,1-6H2,(H,13,17)
InChIKeyUQLDLNZARLMZES-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.00
Rot. Bonds3

About 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide

1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 178063015) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID178063015
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCC(=O)N2CCC(O)C2)CC1
InChIInChI=1S/C11H15N3O3/c12-7-11(2-3-11)10(17)13-5-9(16)14-4-1-8(15)6-14/h8,15H,1-6H2,(H,13,17)
InChIKeyUQLDLNZARLMZES-UHFFFAOYSA-N
XLogP-1.00
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide (CID 178063015) is 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide is N#CC1(C(=O)NCC(=O)N2CCC(O)C2)CC1.
What is the InChIKey of 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is UQLDLNZARLMZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-7-11(2-3-11)10(17)13-5-9(16)14-4-1-8(15)6-14/h8,15H,1-6H2,(H,13,17).
What are the key properties of 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 178063015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).