2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile

C11H15N3O2 — CID 164636514

IUPAC2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCC[C@@H]1NC(=O)N(CC2(CC#N)CC2)C1=O
InChIInChI=1S/C11H15N3O2/c1-2-8-9(15)14(10(16)13-8)7-11(3-4-11)5-6-12/h8H,2-5,7H2,1H3,(H,13,16)/t8-/m0/s1
InChIKeyALJVGOUOUSUVBZ-QMMMGPOBSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds4

About 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 164636514) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID164636514
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCC[C@@H]1NC(=O)N(CC2(CC#N)CC2)C1=O
InChIInChI=1S/C11H15N3O2/c1-2-8-9(15)14(10(16)13-8)7-11(3-4-11)5-6-12/h8H,2-5,7H2,1H3,(H,13,16)/t8-/m0/s1
InChIKeyALJVGOUOUSUVBZ-QMMMGPOBSA-N
XLogP1.01
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile (CID 164636514) is 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile is CC[C@@H]1NC(=O)N(CC2(CC#N)CC2)C1=O.
What is the InChIKey of 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is ALJVGOUOUSUVBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-8-9(15)14(10(16)13-8)7-11(3-4-11)5-6-12/h8H,2-5,7H2,1H3,(H,13,16)/t8-/m0/s1.
What are the key properties of 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 221.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4S)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 164636514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).