2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen

C7H14N2O2 — CID 155589640

IUPAC2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen
SMILESC=CC(=O)N(C)C(C)C(N)=O.[H][H]
InChIInChI=1S/C7H12N2O2.H2/c1-4-6(10)9(3)5(2)7(8)11;/h4-5H,1H2,2-3H3,(H2,8,11);1H
InChIKeyTZPFPMABRLNIKP-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.25
Rot. Bonds3

About 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen

2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen (PubChem CID 155589640) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen.

Molecular Properties

Compound Name2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen
PubChem CID155589640
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen
SMILESC=CC(=O)N(C)C(C)C(N)=O.[H][H]
InChIInChI=1S/C7H12N2O2.H2/c1-4-6(10)9(3)5(2)7(8)11;/h4-5H,1H2,2-3H3,(H2,8,11);1H
InChIKeyTZPFPMABRLNIKP-UHFFFAOYSA-N
XLogP-0.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[acetyl(methyl)amino]propanamide
CID 55282132
2-[bis(prop-2-enyl)amino]propanamide
CID 82040435
2-[methyl(prop-2-enoyl)amino]propane-1-sulfonic acid
CID 23496741
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
molecular hydrogen;prop-2-enamide
CID 156651584
2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
CID 174598026
(2S)-3-hydroxy-2-[methyl(prop-2-enoyl)amino]propanoic acid
CID 176549351
N,N-bis(1-hydroxyethyl)prop-2-enamide
CID 22665003
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
ethane;2-methylpropanamide;molecular hydrogen
CID 143394269
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
2-(dimethylamino)propanamide;2-methylprop-2-enoic acid
CID 175460965

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen?
The IUPAC name of 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen (CID 155589640) is 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen.
What is the SMILES notation for 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen?
The canonical SMILES for 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen is C=CC(=O)N(C)C(C)C(N)=O.[H][H].
What is the InChIKey of 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen?
The InChIKey is TZPFPMABRLNIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.H2/c1-4-6(10)9(3)5(2)7(8)11;/h4-5H,1H2,2-3H3,(H2,8,11);1H.
What are the key properties of 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen?
2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen has a molecular weight of 158.20 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen is sourced from PubChem (CID 155589640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).