3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

C14H20N2O2 — CID 126830697

IUPAC3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(CC2C[C@H]3C=C[C@@H]2C3)C1=O
InChIInChI=1S/C14H20N2O2/c1-8(2)12-13(17)16(14(18)15-12)7-11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3,(H,15,18)/t9-,10+,11?,12?/m0/s1
InChIKeyLSBIRYISYDLIMX-DMOGRIERSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds3

About 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione

3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 126830697) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID126830697
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1NC(=O)N(CC2C[C@H]3C=C[C@@H]2C3)C1=O
InChIInChI=1S/C14H20N2O2/c1-8(2)12-13(17)16(14(18)15-12)7-11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3,(H,15,18)/t9-,10+,11?,12?/m0/s1
InChIKeyLSBIRYISYDLIMX-DMOGRIERSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 164875371
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
(2R)-1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 129320824
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 18097287
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazine
CID 98124188
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,5-dimethylcyclopent-4-ene-1,3-dione
CID 118400317
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 16568359
2-bicyclo[2.2.1]hept-5-enylmethanamine;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;deuterium monohydride;3,4-dimethylfuran-2,5-dione
CID 157283959
1-[8-(2-bicyclo[2.2.1]hept-5-enyl)octyl]pyrrole-2,5-dione
CID 21431928
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidine-4-carboxamide
CID 98109364
1-[4-(2-bicyclo[2.2.1]hept-5-enyl)butyl]-3-ethylpyrrole-2,5-dione
CID 135298974

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 126830697) is 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1NC(=O)N(CC2C[C@H]3C=C[C@@H]2C3)C1=O.
What is the InChIKey of 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is LSBIRYISYDLIMX-DMOGRIERSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-8(2)12-13(17)16(14(18)15-12)7-11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3,(H,15,18)/t9-,10+,11?,12?/m0/s1.
What are the key properties of 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione?
3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 248.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 126830697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).