5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione

C15H21N3O3 — CID 103071810

IUPAC5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione
SMILESC=C(CNC(C)C)CN1C(=O)NC(C)(c2ccco2)C1=O
InChIInChI=1S/C15H21N3O3/c1-10(2)16-8-11(3)9-18-13(19)15(4,17-14(18)20)12-6-5-7-21-12/h5-7,10,16H,3,8-9H2,1-2,4H3,(H,17,20)
InChIKeyDPQGBLTUTGJUKE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.60
Rot. Bonds6

About 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione

5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione (PubChem CID 103071810) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione
PubChem CID103071810
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione
SMILESC=C(CNC(C)C)CN1C(=O)NC(C)(c2ccco2)C1=O
InChIInChI=1S/C15H21N3O3/c1-10(2)16-8-11(3)9-18-13(19)15(4,17-14(18)20)12-6-5-7-21-12/h5-7,10,16H,3,8-9H2,1-2,4H3,(H,17,20)
InChIKeyDPQGBLTUTGJUKE-UHFFFAOYSA-N
XLogP1.60
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
N-cyclopropyl-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 87019144
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 51249918
5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 122149444
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022
(5R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 27110056
5-(furan-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 24520101
5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 24572395
2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 27109354

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione (CID 103071810) is 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione is C=C(CNC(C)C)CN1C(=O)NC(C)(c2ccco2)C1=O.
What is the InChIKey of 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione?
The InChIKey is DPQGBLTUTGJUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)16-8-11(3)9-18-13(19)15(4,17-14(18)20)12-6-5-7-21-12/h5-7,10,16H,3,8-9H2,1-2,4H3,(H,17,20).
What are the key properties of 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione?
5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione has a molecular weight of 291.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione is sourced from PubChem (CID 103071810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).