1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one

C15H21N3O — CID 117402443

IUPAC1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(c2ccccc2/C=C/CN)C1=O
InChIInChI=1S/C15H21N3O/c1-12(2)17-10-11-18(15(17)19)14-8-4-3-6-13(14)7-5-9-16/h3-8,12H,9-11,16H2,1-2H3/b7-5+
InChIKeyDKQFZHCEMGFHGG-FNORWQNLSA-N
MW259.35 g/mol
LogP2.31
Rot. Bonds4

About 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 117402443) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID117402443
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(c2ccccc2/C=C/CN)C1=O
InChIInChI=1S/C15H21N3O/c1-12(2)17-10-11-18(15(17)19)14-8-4-3-6-13(14)7-5-9-16/h3-8,12H,9-11,16H2,1-2H3/b7-5+
InChIKeyDKQFZHCEMGFHGG-FNORWQNLSA-N
XLogP2.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-aminoacetyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117407698
1-[2-(3-aminopropanoyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117440586
1-[2-(2-aminopropan-2-yl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117408491
(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
CID 117291108
1-[2-(1-aminocyclopentyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117464112
3-(2-morpholin-4-ylphenyl)prop-2-en-1-amine
CID 169464674
(E)-3-[2-(2-methylpropyl)phenyl]prop-2-en-1-amine
CID 118428912
(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine
CID 117278212
1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
CID 83822158
tert-butyl 3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-2-oxoimidazolidine-1-carboxylate
CID 122533954
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one (CID 117402443) is 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(c2ccccc2/C=C/CN)C1=O.
What is the InChIKey of 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is DKQFZHCEMGFHGG-FNORWQNLSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)17-10-11-18(15(17)19)14-8-4-3-6-13(14)7-5-9-16/h3-8,12H,9-11,16H2,1-2H3/b7-5+.
What are the key properties of 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-3-aminoprop-1-enyl]phenyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 117402443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).