N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide

C14H22N2O2 — CID 126831939

IUPACN-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2
InChIInChI=1S/C14H22N2O2/c1-2-13(17)15-11-10-12(14(11)4-3-5-14)16-6-8-18-9-7-16/h2,11-12H,1,3-10H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyQKIRDZCMBORCIF-VXGBXAGGSA-N
MW250.34 g/mol
LogP0.93
Rot. Bonds3

About N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide

N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide (PubChem CID 126831939) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide
PubChem CID126831939
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2
InChIInChI=1S/C14H22N2O2/c1-2-13(17)15-11-10-12(14(11)4-3-5-14)16-6-8-18-9-7-16/h2,11-12H,1,3-10H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyQKIRDZCMBORCIF-VXGBXAGGSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.93
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-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide
CID 166408218
N-spiro[4.5]decan-10-ylprop-2-enamide
CID 130592881
N-morpholin-4-ylsulfonylprop-2-enamide
CID 142782715
1-methyl-2-morpholin-4-ylcyclohexan-1-ol;prop-1-ene
CID 143573715
N-(morpholin-4-ylmethyl)prop-2-enamide
CID 22725837
N-(3-hydroxy-2,2-dimethylcyclobutyl)prop-2-enamide
CID 114629305
methyl 2-morpholin-4-ylbicyclo[2.2.2]octane-1-carboxylate
CID 175429783
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
CID 3824523
N-(2,2-dimethylcyclohexyl)morpholine-4-carboxamide
CID 113255358
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
CID 43698480
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
1-[3-(3-morpholin-4-ylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one
CID 154876943

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide?
The IUPAC name of N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide (CID 126831939) is N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide.
What is the SMILES notation for N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide?
The canonical SMILES for N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide is C=CC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2.
What is the InChIKey of N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide?
The InChIKey is QKIRDZCMBORCIF-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-13(17)15-11-10-12(14(11)4-3-5-14)16-6-8-18-9-7-16/h2,11-12H,1,3-10H2,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide?
N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide has a molecular weight of 250.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-morpholin-4-ylspiro[3.3]heptan-1-yl]prop-2-enamide is sourced from PubChem (CID 126831939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).