3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate

C15H22N2O4 — CID 142228150

IUPAC3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
SMILESC=C(C)/C(=N/C(=O)OCC1C=COCC1)N1CCOCC1
InChIInChI=1S/C15H22N2O4/c1-12(2)14(17-5-9-20-10-6-17)16-15(18)21-11-13-3-7-19-8-4-13/h3,7,13H,1,4-6,8-11H2,2H3/b16-14-
InChIKeyZIILZXFLYRWDGZ-PEZBUJJGSA-N
MW294.35 g/mol
LogP1.98
Rot. Bonds3

About 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate

3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate (PubChem CID 142228150) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
PubChem CID142228150
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
SMILESC=C(C)/C(=N/C(=O)OCC1C=COCC1)N1CCOCC1
InChIInChI=1S/C15H22N2O4/c1-12(2)14(17-5-9-20-10-6-17)16-15(18)21-11-13-3-7-19-8-4-13/h3,7,13H,1,4-6,8-11H2,2H3/b16-14-
InChIKeyZIILZXFLYRWDGZ-PEZBUJJGSA-N
XLogP1.98
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228095
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CID 71154595
oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148449
oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148450
(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228112
(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 72625281
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
(Z)-3-morpholin-4-ylbut-2-enamide
CID 70579814
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
CID 142123394
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate?
The IUPAC name of 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate (CID 142228150) is 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate.
What is the SMILES notation for 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate?
The canonical SMILES for 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate is C=C(C)/C(=N/C(=O)OCC1C=COCC1)N1CCOCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate?
The InChIKey is ZIILZXFLYRWDGZ-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(2)14(17-5-9-20-10-6-17)16-15(18)21-11-13-3-7-19-8-4-13/h3,7,13H,1,4-6,8-11H2,2H3/b16-14-.
What are the key properties of 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate?
3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate is sourced from PubChem (CID 142228150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).