cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate

C14H22N2O3 — CID 142228095

IUPACcyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
SMILESC=C(C)/C(=N/C(=O)OCC1CCC1)N1CCOCC1
InChIInChI=1S/C14H22N2O3/c1-11(2)13(16-6-8-18-9-7-16)15-14(17)19-10-12-4-3-5-12/h12H,1,3-10H2,2H3/b15-13-
InChIKeyPOQBSLLVMVILKQ-SQFISAMPSA-N
MW266.34 g/mol
LogP2.23
Rot. Bonds3

About cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate

cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate (PubChem CID 142228095) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate.

Molecular Properties

Compound Namecyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
PubChem CID142228095
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namecyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
SMILESC=C(C)/C(=N/C(=O)OCC1CCC1)N1CCOCC1
InChIInChI=1S/C14H22N2O3/c1-11(2)13(16-6-8-18-9-7-16)15-14(17)19-10-12-4-3-5-12/h12H,1,3-10H2,2H3/b15-13-
InChIKeyPOQBSLLVMVILKQ-SQFISAMPSA-N
XLogP2.23
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228150
oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154595
oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148449
(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
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148450
cyclohexylmethyl 4-methylpiperazine-1-carboxylate
CID 71187962
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
cyclohexylmethyl N-[[[2-[(4-cyano-1-methylpiperidin-4-yl)carbamoyl]cyclohexyl]-ethylamino]-morpholin-4-ylmethylidene]carbamate
CID 91431605
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
cyclopropylmethyl acetate
CID 538333

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate?
The IUPAC name of cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate (CID 142228095) is cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate.
What is the SMILES notation for cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate?
The canonical SMILES for cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate is C=C(C)/C(=N/C(=O)OCC1CCC1)N1CCOCC1.
What is the InChIKey of cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate?
The InChIKey is POQBSLLVMVILKQ-SQFISAMPSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)13(16-6-8-18-9-7-16)15-14(17)19-10-12-4-3-5-12/h12H,1,3-10H2,2H3/b15-13-.
What are the key properties of cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate?
cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate is sourced from PubChem (CID 142228095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).