N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide

C10H18N2O4 — CID 87910118

IUPACN,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide
SMILESC=CC(=O)N(CCO)CCO.C=CC(N)=O
InChIInChI=1S/C7H13NO3.C3H5NO/c1-2-7(11)8(3-5-9)4-6-10;1-2-3(4)5/h2,9-10H,1,3-6H2;2H,1H2,(H2,4,5)
InChIKeyISWPZYYUQNLMEG-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.36
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide

N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide (PubChem CID 87910118) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide
PubChem CID87910118
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC NameN,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide
SMILESC=CC(=O)N(CCO)CCO.C=CC(N)=O
InChIInChI=1S/C7H13NO3.C3H5NO/c1-2-7(11)8(3-5-9)4-6-10;1-2-3(4)5/h2,9-10H,1,3-6H2;2H,1H2,(H2,4,5)
InChIKeyISWPZYYUQNLMEG-UHFFFAOYSA-N
XLogP-1.36
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide (CID 87910118) is N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide is C=CC(=O)N(CCO)CCO.C=CC(N)=O.
What is the InChIKey of N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide?
The InChIKey is ISWPZYYUQNLMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C3H5NO/c1-2-7(11)8(3-5-9)4-6-10;1-2-3(4)5/h2,9-10H,1,3-6H2;2H,1H2,(H2,4,5).
What are the key properties of N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide?
N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide has a molecular weight of 230.26 g/mol, XLogP of -1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)prop-2-enamide;prop-2-enamide is sourced from PubChem (CID 87910118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).