N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide

C10H17NO2 — CID 87069849

IUPACN-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCO)C(=O)C(=C)C
InChIInChI=1S/C10H17NO2/c1-4-6-11(7-5-8-12)10(13)9(2)3/h4,12H,1-2,5-8H2,3H3
InChIKeyDZVZXYIPZYLJBZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.96
Rot. Bonds6

About N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide

N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 87069849) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID87069849
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCO)C(=O)C(=C)C
InChIInChI=1S/C10H17NO2/c1-4-6-11(7-5-8-12)10(13)9(2)3/h4,12H,1-2,5-8H2,3H3
InChIKeyDZVZXYIPZYLJBZ-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.96
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-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide (CID 87069849) is N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(CCCO)C(=O)C(=C)C.
What is the InChIKey of N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is DZVZXYIPZYLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-6-11(7-5-8-12)10(13)9(2)3/h4,12H,1-2,5-8H2,3H3.
What are the key properties of N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide?
N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 87069849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).