acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene

C10H21NO2 — CID 165093716

IUPACacetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)OC.CC(N)=O
InChIInChI=1S/C4H8O.C4H8.C2H5NO/c1-4(2)5-3;1-4(2)3;1-2(3)4/h1H2,2-3H3;1H2,2-3H3;1H3,(H2,3,4)
InChIKeyXDLITNIKURAQOU-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.24
Rot. Bonds1

About acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene

acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene (PubChem CID 165093716) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene.

Molecular Properties

Compound Nameacetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
PubChem CID165093716
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameacetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)OC.CC(N)=O
InChIInChI=1S/C4H8O.C4H8.C2H5NO/c1-4(2)5-3;1-4(2)3;1-2(3)4/h1H2,2-3H3;1H2,2-3H3;1H3,(H2,3,4)
InChIKeyXDLITNIKURAQOU-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
fluoromethane;2-methoxyprop-1-ene
CID 143721713
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
acetamide
CID 139024037
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
acetamide;bis(N-methylmethanamine)
CID 172694142
methyl 2-prop-1-en-2-yloxyacetate
CID 90436519
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033

Frequently Asked Questions

What is the IUPAC name of acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene?
The IUPAC name of acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene (CID 165093716) is acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene.
What is the SMILES notation for acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene?
The canonical SMILES for acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene is C=C(C)C.C=C(C)OC.CC(N)=O.
What is the InChIKey of acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene?
The InChIKey is XDLITNIKURAQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H8.C2H5NO/c1-4(2)5-3;1-4(2)3;1-2(3)4/h1H2,2-3H3;1H2,2-3H3;1H3,(H2,3,4).
What are the key properties of acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene?
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene has a molecular weight of 187.28 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene is sourced from PubChem (CID 165093716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).