(E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide

C18H30N2O2 — CID 176958854

IUPAC(E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide
SMILESCCC/C(C)=C/C(=O)NC(C(=O)N1CCCC1)C1CCCC1
InChIInChI=1S/C18H30N2O2/c1-3-8-14(2)13-16(21)19-17(15-9-4-5-10-15)18(22)20-11-6-7-12-20/h13,15,17H,3-12H2,1-2H3,(H,19,21)/b14-13+
InChIKeyYLESVPNJRNIWCJ-BUHFOSPRSA-N
MW306.45 g/mol
LogP3.03
Rot. Bonds6

About (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide

(E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide (PubChem CID 176958854) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide
PubChem CID176958854
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide
SMILESCCC/C(C)=C/C(=O)NC(C(=O)N1CCCC1)C1CCCC1
InChIInChI=1S/C18H30N2O2/c1-3-8-14(2)13-16(21)19-17(15-9-4-5-10-15)18(22)20-11-6-7-12-20/h13,15,17H,3-12H2,1-2H3,(H,19,21)/b14-13+
InChIKeyYLESVPNJRNIWCJ-BUHFOSPRSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide?
The IUPAC name of (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide (CID 176958854) is (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide.
What is the SMILES notation for (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide?
The canonical SMILES for (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide is CCC/C(C)=C/C(=O)NC(C(=O)N1CCCC1)C1CCCC1.
What is the InChIKey of (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide?
The InChIKey is YLESVPNJRNIWCJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-8-14(2)13-16(21)19-17(15-9-4-5-10-15)18(22)20-11-6-7-12-20/h13,15,17H,3-12H2,1-2H3,(H,19,21)/b14-13+.
What are the key properties of (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide?
(E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide has a molecular weight of 306.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide is sourced from PubChem (CID 176958854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).