N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide

C10H15NO3 — CID 87450120

IUPACN,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide
SMILESC=CC(O)N(C(=O)C(=C)C)C(O)C=C
InChIInChI=1S/C10H15NO3/c1-5-8(12)11(9(13)6-2)10(14)7(3)4/h5-6,8-9,12-13H,1-3H2,4H3
InChIKeyJMKGZEGJRTVYTN-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.40
Rot. Bonds5

About N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide

N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide (PubChem CID 87450120) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide
PubChem CID87450120
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide
SMILESC=CC(O)N(C(=O)C(=C)C)C(O)C=C
InChIInChI=1S/C10H15NO3/c1-5-8(12)11(9(13)6-2)10(14)7(3)4/h5-6,8-9,12-13H,1-3H2,4H3
InChIKeyJMKGZEGJRTVYTN-UHFFFAOYSA-N
XLogP0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
N,N-diethyl-2-(hydroxymethyl)prop-2-enamide
CID 12142599
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 10942654
N-(2-hydroxyethyl)-N,2-dimethylprop-2-enamide
CID 13531438
N-(hydroxymethyl)-2-methyl-N-(2-methylpropyl)prop-2-enamide
CID 17936728
N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 18413449
N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide
CID 18520794
N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 18792570
N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 18982596
N-Ethyl-N-(2-hydroxyethyl)-2-methyl-2-propenamide
CID 19357458
N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 19767345
N-(hydroxymethyl)-2-methyl-N-propan-2-ylprop-2-enamide
CID 20027986

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide?
The IUPAC name of N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide (CID 87450120) is N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide.
What is the SMILES notation for N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide?
The canonical SMILES for N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide is C=CC(O)N(C(=O)C(=C)C)C(O)C=C.
What is the InChIKey of N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide?
The InChIKey is JMKGZEGJRTVYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-8(12)11(9(13)6-2)10(14)7(3)4/h5-6,8-9,12-13H,1-3H2,4H3.
What are the key properties of N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide?
N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-hydroxyprop-2-enyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87450120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).