N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide

C6H13BrN2O — CID 175039134

IUPACN-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
SMILESBr.C=CC(=O)NC(C)CN
InChIInChI=1S/C6H12N2O.BrH/c1-3-6(9)8-5(2)4-7;/h3,5H,1,4,7H2,2H3,(H,8,9);1H
InChIKeyOZOYMODAYLENLH-UHFFFAOYSA-N
MW209.09 g/mol
LogP0.21
Rot. Bonds3

About N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide

N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide (PubChem CID 175039134) has the molecular formula C6H13BrN2O and a molecular weight of 209.09 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
PubChem CID175039134
Molecular FormulaC6H13BrN2O
Molecular Weight209.09 g/mol
Exact Mass208.02
IUPAC NameN-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
SMILESBr.C=CC(=O)NC(C)CN
InChIInChI=1S/C6H12N2O.BrH/c1-3-6(9)8-5(2)4-7;/h3,5H,1,4,7H2,2H3,(H,8,9);1H
InChIKeyOZOYMODAYLENLH-UHFFFAOYSA-N
XLogP0.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3-methylbut-2-enamide
CID 104873136
N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide
CID 167837204
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
methyl 3-(prop-2-enoylamino)butanoate
CID 139498956
N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide
CID 88844462
N-(5-trimethoxysilylpentan-2-yl)prop-2-enamide
CID 172553475
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
(E)-N-[(2S)-1-aminopropan-2-yl]-3-methylsulfanylprop-2-enamide
CID 131248313
N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide
CID 101217114
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
CID 172681063
CID 172681063

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide?
The IUPAC name of N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide (CID 175039134) is N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide.
What is the SMILES notation for N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide?
The canonical SMILES for N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide is Br.C=CC(=O)NC(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide?
The InChIKey is OZOYMODAYLENLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.BrH/c1-3-6(9)8-5(2)4-7;/h3,5H,1,4,7H2,2H3,(H,8,9);1H.
What are the key properties of N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide?
N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide has a molecular weight of 209.09 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide is sourced from PubChem (CID 175039134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).