(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide

C14H22N4O2 — CID 108863036

IUPAC(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide
SMILESN#C/C(=C/N1CCCC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H22N4O2/c15-11-13(12-18-4-1-2-5-18)14(19)16-3-6-17-7-9-20-10-8-17/h12H,1-10H2,(H,16,19)/b13-12-
InChIKeyNBMFNLSHUYPDET-SEYXRHQNSA-N
MW278.36 g/mol
LogP-0.06
Rot. Bonds5

About (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide

(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide (PubChem CID 108863036) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide
PubChem CID108863036
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide
SMILESN#C/C(=C/N1CCCC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H22N4O2/c15-11-13(12-18-4-1-2-5-18)14(19)16-3-6-17-7-9-20-10-8-17/h12H,1-10H2,(H,16,19)/b13-12-
InChIKeyNBMFNLSHUYPDET-SEYXRHQNSA-N
XLogP-0.06
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide (CID 108863036) is (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide is N#C/C(=C/N1CCCC1)C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide?
The InChIKey is NBMFNLSHUYPDET-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-11-13(12-18-4-1-2-5-18)14(19)16-3-6-17-7-9-20-10-8-17/h12H,1-10H2,(H,16,19)/b13-12-.
What are the key properties of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide?
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide has a molecular weight of 278.36 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-pyrrolidin-1-ylprop-2-enamide is sourced from PubChem (CID 108863036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).