[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium

C15H21N2O+ — CID 8909754

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium
SMILESC[NH+](C/C=C/c1ccccc1)CC(=O)NC1CC1
InChIInChI=1S/C15H20N2O/c1-17(12-15(18)16-14-9-10-14)11-5-8-13-6-3-2-4-7-13/h2-8,14H,9-12H2,1H3,(H,16,18)/p+1/b8-5+
InChIKeyBIJINDFACWKDGO-VMPITWQZSA-O
MW245.35 g/mol
LogP0.49
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium

[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium (PubChem CID 8909754) has the molecular formula C15H21N2O+ and a molecular weight of 245.35 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium
PubChem CID8909754
Molecular FormulaC15H21N2O+
Molecular Weight245.35 g/mol
Exact Mass245.16
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium
SMILESC[NH+](C/C=C/c1ccccc1)CC(=O)NC1CC1
InChIInChI=1S/C15H20N2O/c1-17(12-15(18)16-14-9-10-14)11-5-8-13-6-3-2-4-7-13/h2-8,14H,9-12H2,1H3,(H,16,18)/p+1/b8-5+
InChIKeyBIJINDFACWKDGO-VMPITWQZSA-O
XLogP0.49
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-2-(3-phenylprop-2-enylsulfonyl)propanamide
CID 131962739
[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 8909591
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8910070
2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8909346
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053335
[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910747
N-cyclopropyl-2-phenylacetamide
CID 5175687
[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8911616
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052823
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide
CID 110305319
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8911226
N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108942180

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium (CID 8909754) is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium is C[NH+](C/C=C/c1ccccc1)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium?
The InChIKey is BIJINDFACWKDGO-VMPITWQZSA-O. The full InChI is InChI=1S/C15H20N2O/c1-17(12-15(18)16-14-9-10-14)11-5-8-13-6-3-2-4-7-13/h2-8,14H,9-12H2,1H3,(H,16,18)/p+1/b8-5+.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium?
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium has a molecular weight of 245.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium is sourced from PubChem (CID 8909754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).