(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide

C15H25N3O3 — CID 75411525

IUPAC(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-8-17-13(19)12-5-4-9-18(12)15(14(20)16-2)6-10-21-11-7-15/h3,12H,1,4-11H2,2H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyZHLPMWIFNNHRHG-LBPRGKRZSA-N
MW295.38 g/mol
LogP0.05
Rot. Bonds5

About (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide

(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 75411525) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID75411525
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-8-17-13(19)12-5-4-9-18(12)15(14(20)16-2)6-10-21-11-7-15/h3,12H,1,4-11H2,2H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyZHLPMWIFNNHRHG-LBPRGKRZSA-N
XLogP0.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide (CID 75411525) is (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCNC(=O)[C@@H]1CCCN1C1(C(=O)NC)CCOCC1.
What is the InChIKey of (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is ZHLPMWIFNNHRHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-8-17-13(19)12-5-4-9-18(12)15(14(20)16-2)6-10-21-11-7-15/h3,12H,1,4-11H2,2H3,(H,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide?
(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75411525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).