N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride

C10H19ClN2O — CID 6455829

IUPACN-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride
SMILESC=CC(N)=O.C=CCN(C)CC=C.Cl
InChIInChI=1S/C7H13N.C3H5NO.ClH/c1-4-6-8(3)7-5-2;1-2-3(4)5;/h4-5H,1-2,6-7H2,3H3;2H,1H2,(H2,4,5);1H
InChIKeyRXXVPOFDVZHBNV-UHFFFAOYSA-N
MW218.73 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride

N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride (PubChem CID 6455829) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride
PubChem CID6455829
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC NameN-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride
SMILESC=CC(N)=O.C=CCN(C)CC=C.Cl
InChIInChI=1S/C7H13N.C3H5NO.ClH/c1-4-6-8(3)7-5-2;1-2-3(4)5;/h4-5H,1-2,6-7H2,3H3;2H,1H2,(H2,4,5);1H
InChIKeyRXXVPOFDVZHBNV-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride?
The IUPAC name of N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride (CID 6455829) is N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride.
What is the SMILES notation for N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride?
The canonical SMILES for N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride is C=CC(N)=O.C=CCN(C)CC=C.Cl.
What is the InChIKey of N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride?
The InChIKey is RXXVPOFDVZHBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C3H5NO.ClH/c1-4-6-8(3)7-5-2;1-2-3(4)5;/h4-5H,1-2,6-7H2,3H3;2H,1H2,(H2,4,5);1H.
What are the key properties of N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride?
N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enamide;hydrochloride is sourced from PubChem (CID 6455829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).