methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate

C14H21NO4 — CID 79209422

IUPACmethyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C2C3CCCCC32)CCO1
InChIInChI=1S/C14H21NO4/c1-18-14(17)11-8-15(6-7-19-11)13(16)12-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3
InChIKeyBRHISOZSBOHJKE-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.82
Rot. Bonds2

About methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate

methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate (PubChem CID 79209422) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate
PubChem CID79209422
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C2C3CCCCC32)CCO1
InChIInChI=1S/C14H21NO4/c1-18-14(17)11-8-15(6-7-19-11)13(16)12-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3
InChIKeyBRHISOZSBOHJKE-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate
CID 78926608
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl (2R)-4-[(2R)-1-benzylpyrrolidine-2-carbonyl]morpholine-2-carboxylate
CID 124527886
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
[2-(1-aminoethyl)morpholin-4-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484253
methyl 4-(2,3-dihydro-1-benzothiophene-3-carbonyl)morpholine-2-carboxylate
CID 78993491
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591

Frequently Asked Questions

What is the IUPAC name of methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate (CID 79209422) is methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)C2C3CCCCC32)CCO1.
What is the InChIKey of methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate?
The InChIKey is BRHISOZSBOHJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-14(17)11-8-15(6-7-19-11)13(16)12-9-4-2-3-5-10(9)12/h9-12H,2-8H2,1H3.
What are the key properties of methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate?
methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 79209422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).