N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene

C13H24N2O2 — CID 91512805

IUPACN-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
SMILESC=C(C)C.C=CC(=O)NC.C=CC(=O)NCC
InChIInChI=1S/C5H9NO.C4H7NO.C4H8/c1-3-5(7)6-4-2;1-3-4(6)5-2;1-4(2)3/h3H,1,4H2,2H3,(H,6,7);3H,1H2,2H3,(H,5,6);1H2,2-3H3
InChIKeyCCLXHIXKYPAQFV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.81
Rot. Bonds3

About N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene

N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene (PubChem CID 91512805) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene.

Molecular Properties

Compound NameN-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
PubChem CID91512805
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
SMILESC=C(C)C.C=CC(=O)NC.C=CC(=O)NCC
InChIInChI=1S/C5H9NO.C4H7NO.C4H8/c1-3-5(7)6-4-2;1-3-4(6)5-2;1-4(2)3/h3H,1,4H2,2H3,(H,6,7);3H,1H2,2H3,(H,5,6);1H2,2-3H3
InChIKeyCCLXHIXKYPAQFV-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
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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Related Compounds

N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
but-1-ene;N-methylprop-2-enamide
CID 159446883
methanol;bis(N-methylprop-2-enamide)
CID 175170531
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
CID 161409865
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757

Frequently Asked Questions

What is the IUPAC name of N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene?
The IUPAC name of N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene (CID 91512805) is N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene.
What is the SMILES notation for N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene?
The canonical SMILES for N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene is C=C(C)C.C=CC(=O)NC.C=CC(=O)NCC.
What is the InChIKey of N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene?
The InChIKey is CCLXHIXKYPAQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H7NO.C4H8/c1-3-5(7)6-4-2;1-3-4(6)5-2;1-4(2)3/h3H,1,4H2,2H3,(H,6,7);3H,1H2,2H3,(H,5,6);1H2,2-3H3.
What are the key properties of N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene?
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene has a molecular weight of 240.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene is sourced from PubChem (CID 91512805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).