2-methyl-N-(oxiran-2-yl)prop-2-enamide

C6H9NO2 — CID 19866774

IUPAC2-methyl-N-(oxiran-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CO1
InChIInChI=1S/C6H9NO2/c1-4(2)6(8)7-5-3-9-5/h5H,1,3H2,2H3,(H,7,8)
InChIKeyMJMKYIKABVXWRC-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.04
Rot. Bonds2

About 2-methyl-N-(oxiran-2-yl)prop-2-enamide

2-methyl-N-(oxiran-2-yl)prop-2-enamide (PubChem CID 19866774) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-methyl-N-(oxiran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(oxiran-2-yl)prop-2-enamide
PubChem CID19866774
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-methyl-N-(oxiran-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CO1
InChIInChI=1S/C6H9NO2/c1-4(2)6(8)7-5-3-9-5/h5H,1,3H2,2H3,(H,7,8)
InChIKeyMJMKYIKABVXWRC-UHFFFAOYSA-N
XLogP0.04
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

CID 10197699
CID 10197699
CID 15646850
CID 15646850
CID 9989479
CID 9989479
CID 13955249
CID 13955249
CID 17861946
CID 17861946
CID 18366428
CID 18366428
CID 21868076
CID 21868076
CID 21946894
CID 21946894
CID 22336753
CID 22336753
CID 23396054
CID 23396054
CID 53666693
CID 53666693
CID 53998534
CID 53998534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxiran-2-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(oxiran-2-yl)prop-2-enamide (CID 19866774) is 2-methyl-N-(oxiran-2-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(oxiran-2-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(oxiran-2-yl)prop-2-enamide is C=C(C)C(=O)NC1CO1.
What is the InChIKey of 2-methyl-N-(oxiran-2-yl)prop-2-enamide?
The InChIKey is MJMKYIKABVXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4(2)6(8)7-5-3-9-5/h5H,1,3H2,2H3,(H,7,8).
What are the key properties of 2-methyl-N-(oxiran-2-yl)prop-2-enamide?
2-methyl-N-(oxiran-2-yl)prop-2-enamide has a molecular weight of 127.14 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxiran-2-yl)prop-2-enamide is sourced from PubChem (CID 19866774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).