N,N-bis(oxiran-2-ylmethyl)but-2-enamide

C10H15NO3 — CID 54413131

IUPACN,N-bis(oxiran-2-ylmethyl)but-2-enamide
SMILESCC=CC(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C10H15NO3/c1-2-3-10(12)11(4-8-6-13-8)5-9-7-14-9/h2-3,8-9H,4-7H2,1H3
InChIKeyVVNUVDCJIQDOHF-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.19
Rot. Bonds5

About N,N-bis(oxiran-2-ylmethyl)but-2-enamide

N,N-bis(oxiran-2-ylmethyl)but-2-enamide (PubChem CID 54413131) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N,N-bis(oxiran-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN,N-bis(oxiran-2-ylmethyl)but-2-enamide
PubChem CID54413131
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN,N-bis(oxiran-2-ylmethyl)but-2-enamide
SMILESCC=CC(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C10H15NO3/c1-2-3-10(12)11(4-8-6-13-8)5-9-7-14-9/h2-3,8-9H,4-7H2,1H3
InChIKeyVVNUVDCJIQDOHF-UHFFFAOYSA-N
XLogP0.19
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxiran-2-ylmethyl)but-2-enamide?
The IUPAC name of N,N-bis(oxiran-2-ylmethyl)but-2-enamide (CID 54413131) is N,N-bis(oxiran-2-ylmethyl)but-2-enamide.
What is the SMILES notation for N,N-bis(oxiran-2-ylmethyl)but-2-enamide?
The canonical SMILES for N,N-bis(oxiran-2-ylmethyl)but-2-enamide is CC=CC(=O)N(CC1CO1)CC1CO1.
What is the InChIKey of N,N-bis(oxiran-2-ylmethyl)but-2-enamide?
The InChIKey is VVNUVDCJIQDOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-10(12)11(4-8-6-13-8)5-9-7-14-9/h2-3,8-9H,4-7H2,1H3.
What are the key properties of N,N-bis(oxiran-2-ylmethyl)but-2-enamide?
N,N-bis(oxiran-2-ylmethyl)but-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(oxiran-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 54413131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).