N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide

C10H17N3O2 — CID 99859406

IUPACN-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
SMILESC=C[C@H](C)NC(=O)N1CC(=O)N(CC)C1
InChIInChI=1S/C10H17N3O2/c1-4-8(3)11-10(15)13-6-9(14)12(5-2)7-13/h4,8H,1,5-7H2,2-3H3,(H,11,15)/t8-/m0/s1
InChIKeyISWRGTMMUZVZQL-QMMMGPOBSA-N
MW211.26 g/mol
LogP0.39
Rot. Bonds3

About N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide

N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide (PubChem CID 99859406) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
PubChem CID99859406
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
SMILESC=C[C@H](C)NC(=O)N1CC(=O)N(CC)C1
InChIInChI=1S/C10H17N3O2/c1-4-8(3)11-10(15)13-6-9(14)12(5-2)7-13/h4,8H,1,5-7H2,2-3H3,(H,11,15)/t8-/m0/s1
InChIKeyISWRGTMMUZVZQL-QMMMGPOBSA-N
XLogP0.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide (CID 99859406) is N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide is C=C[C@H](C)NC(=O)N1CC(=O)N(CC)C1.
What is the InChIKey of N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide?
The InChIKey is ISWRGTMMUZVZQL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8(3)11-10(15)13-6-9(14)12(5-2)7-13/h4,8H,1,5-7H2,2-3H3,(H,11,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide?
N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 99859406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).