N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide

C17H27N3O2 — CID 75376747

IUPACN-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
SMILESN#CC(NC(=O)C1CCN(C2CCCCC2)C1)C1CCOC1
InChIInChI=1S/C17H27N3O2/c18-10-16(14-7-9-22-12-14)19-17(21)13-6-8-20(11-13)15-4-2-1-3-5-15/h13-16H,1-9,11-12H2,(H,19,21)
InChIKeyVLQIWXORBYFCDE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.69
Rot. Bonds4

About N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide

N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide (PubChem CID 75376747) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
PubChem CID75376747
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
SMILESN#CC(NC(=O)C1CCN(C2CCCCC2)C1)C1CCOC1
InChIInChI=1S/C17H27N3O2/c18-10-16(14-7-9-22-12-14)19-17(21)13-6-8-20(11-13)15-4-2-1-3-5-15/h13-16H,1-9,11-12H2,(H,19,21)
InChIKeyVLQIWXORBYFCDE-UHFFFAOYSA-N
XLogP1.69
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The IUPAC name of N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide (CID 75376747) is N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide is N#CC(NC(=O)C1CCN(C2CCCCC2)C1)C1CCOC1.
What is the InChIKey of N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The InChIKey is VLQIWXORBYFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c18-10-16(14-7-9-22-12-14)19-17(21)13-6-8-20(11-13)15-4-2-1-3-5-15/h13-16H,1-9,11-12H2,(H,19,21).
What are the key properties of N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(oxolan-3-yl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide is sourced from PubChem (CID 75376747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).