4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide

C13H24N2O2 — CID 153346816

IUPAC4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC1(CN2CCOCC2)CC1
InChIInChI=1S/C9H17NO.C4H7NO/c1-9(2-3-9)8-10-4-6-11-7-5-10;1-3-4(6)5-2/h2-8H2,1H3;3H,1H2,2H3,(H,5,6)
InChIKeyDZYZGQBRPJDUHJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds3

About 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide

4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide (PubChem CID 153346816) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide.

Molecular Properties

Compound Name4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide
PubChem CID153346816
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide
SMILESC=CC(=O)NC.CC1(CN2CCOCC2)CC1
InChIInChI=1S/C9H17NO.C4H7NO/c1-9(2-3-9)8-10-4-6-11-7-5-10;1-3-4(6)5-2/h2-8H2,1H3;3H,1H2,2H3,(H,5,6)
InChIKeyDZYZGQBRPJDUHJ-UHFFFAOYSA-N
XLogP1.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-4-(morpholin-4-yl)butan-2-yl]prop-2-enamide
CID 567672
N-(3-Morpholinopropyl)acrylamide
CID 11735756
N-(3-morpholin-4-ylbutyl)prop-2-enamide
CID 54301471
N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 54322258
N-methylprop-2-enamide;morpholine
CID 67025590
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]prop-2-enamide
CID 129181058
4-[(1-methylcyclopropyl)methyl]morpholine;N-methylmethanamine;prop-2-enal
CID 153346744
methoxyethane;methoxymethane;4-(methoxymethyl)morpholine;N-methylprop-2-enamide
CID 159098125
N-(3-morpholin-4-ylpropyl)prop-2-enamide;prop-2-enamide
CID 159734807
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide
CID 174363126
(E)-N-(2,2-dimethylpropyl)-4-morpholin-4-ylbut-2-enamide
CID 174363127
morpholine;N-propylprop-2-enamide
CID 174948758

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide?
The IUPAC name of 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide (CID 153346816) is 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide.
What is the SMILES notation for 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide?
The canonical SMILES for 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide is C=CC(=O)NC.CC1(CN2CCOCC2)CC1.
What is the InChIKey of 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide?
The InChIKey is DZYZGQBRPJDUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C4H7NO/c1-9(2-3-9)8-10-4-6-11-7-5-10;1-3-4(6)5-2/h2-8H2,1H3;3H,1H2,2H3,(H,5,6).
What are the key properties of 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide?
4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopropyl)methyl]morpholine;N-methylprop-2-enamide is sourced from PubChem (CID 153346816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).