[(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium

C11H22N3O+ — CID 89276595

IUPAC[(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium
SMILESC=C(C)N/C(=C\N)C[C@@H](C=O)[N+](C)(C)C
InChIInChI=1S/C11H22N3O/c1-9(2)13-10(7-12)6-11(8-15)14(3,4)5/h7-8,11,13H,1,6,12H2,2-5H3/q+1/b10-7-/t11-/m0/s1
InChIKeyXNDLOLBLNWJLQS-BRNRAETOSA-N
MW212.32 g/mol
LogP0.57
Rot. Bonds6

About [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium

[(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium (PubChem CID 89276595) has the molecular formula C11H22N3O+ and a molecular weight of 212.32 g/mol. Its IUPAC name is [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium.

Molecular Properties

Compound Name[(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium
PubChem CID89276595
Molecular FormulaC11H22N3O+
Molecular Weight212.32 g/mol
Exact Mass212.18
IUPAC Name[(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium
SMILESC=C(C)N/C(=C\N)C[C@@H](C=O)[N+](C)(C)C
InChIInChI=1S/C11H22N3O/c1-9(2)13-10(7-12)6-11(8-15)14(3,4)5/h7-8,11,13H,1,6,12H2,2-5H3/q+1/b10-7-/t11-/m0/s1
InChIKeyXNDLOLBLNWJLQS-BRNRAETOSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium with MolForge

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Related Compounds

(1-amino-3-oxopropan-2-yl)-trimethylazanium
CID 174760180
trimethyl(1-oxobutan-2-yl)azanium
CID 89178917
2-(prop-1-en-2-ylamino)prop-2-enal
CID 89343212
(Z)-2-methyl-4-N-prop-1-en-2-ylpent-1-ene-1,4-diamine
CID 166966748
N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide
CID 89013106
2-methoxy-4-methylpent-4-enal
CID 15128224
(Z)-4-amino-3-hydrazinylbut-3-enal
CID 165139977
N-(1-fluoroethenyl)prop-1-en-2-amine
CID 145377112
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
(Z)-2-N-(1-aminoethenyl)prop-1-ene-1,2-diamine
CID 146561035
(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
ethanol;2-methylprop-2-enal
CID 88639201

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium?
The IUPAC name of [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium (CID 89276595) is [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium.
What is the SMILES notation for [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium?
The canonical SMILES for [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium is C=C(C)N/C(=C\N)C[C@@H](C=O)[N+](C)(C)C.
What is the InChIKey of [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium?
The InChIKey is XNDLOLBLNWJLQS-BRNRAETOSA-N. The full InChI is InChI=1S/C11H22N3O/c1-9(2)13-10(7-12)6-11(8-15)14(3,4)5/h7-8,11,13H,1,6,12H2,2-5H3/q+1/b10-7-/t11-/m0/s1.
What are the key properties of [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium?
[(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium has a molecular weight of 212.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-5-amino-1-oxo-4-(prop-1-en-2-ylamino)pent-4-en-2-yl]-trimethylazanium is sourced from PubChem (CID 89276595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).