2-methyl-N-propylprop-2-enamide;hydrobromide

C7H14BrNO — CID 172725706

IUPAC2-methyl-N-propylprop-2-enamide;hydrobromide
SMILESBr.C=C(C)C(=O)NCCC
InChIInChI=1S/C7H13NO.BrH/c1-4-5-8-7(9)6(2)3;/h2,4-5H2,1,3H3,(H,8,9);1H
InChIKeyHCSVMAJNXKYGHC-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.67
Rot. Bonds3

About 2-methyl-N-propylprop-2-enamide;hydrobromide

2-methyl-N-propylprop-2-enamide;hydrobromide (PubChem CID 172725706) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is 2-methyl-N-propylprop-2-enamide;hydrobromide.

Molecular Properties

Compound Name2-methyl-N-propylprop-2-enamide;hydrobromide
PubChem CID172725706
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name2-methyl-N-propylprop-2-enamide;hydrobromide
SMILESBr.C=C(C)C(=O)NCCC
InChIInChI=1S/C7H13NO.BrH/c1-4-5-8-7(9)6(2)3;/h2,4-5H2,1,3H3,(H,8,9);1H
InChIKeyHCSVMAJNXKYGHC-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18000449
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
2-oxo-N-propylpropanamide
CID 13291521
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
2-methoxy-N-propylprop-2-enamide
CID 55287359
N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide
CID 87413297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propylprop-2-enamide;hydrobromide?
The IUPAC name of 2-methyl-N-propylprop-2-enamide;hydrobromide (CID 172725706) is 2-methyl-N-propylprop-2-enamide;hydrobromide.
What is the SMILES notation for 2-methyl-N-propylprop-2-enamide;hydrobromide?
The canonical SMILES for 2-methyl-N-propylprop-2-enamide;hydrobromide is Br.C=C(C)C(=O)NCCC.
What is the InChIKey of 2-methyl-N-propylprop-2-enamide;hydrobromide?
The InChIKey is HCSVMAJNXKYGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.BrH/c1-4-5-8-7(9)6(2)3;/h2,4-5H2,1,3H3,(H,8,9);1H.
What are the key properties of 2-methyl-N-propylprop-2-enamide;hydrobromide?
2-methyl-N-propylprop-2-enamide;hydrobromide has a molecular weight of 208.10 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylprop-2-enamide;hydrobromide is sourced from PubChem (CID 172725706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).