methyl N-(1,4-dioxepan-6-yl)carbamate

C7H13NO4 — CID 130643891

IUPACmethyl N-(1,4-dioxepan-6-yl)carbamate
SMILESCOC(=O)NC1COCCOC1
InChIInChI=1S/C7H13NO4/c1-10-7(9)8-6-4-11-2-3-12-5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyPISZBCGFZACZFL-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.24
Rot. Bonds1

About methyl N-(1,4-dioxepan-6-yl)carbamate

methyl N-(1,4-dioxepan-6-yl)carbamate (PubChem CID 130643891) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl N-(1,4-dioxepan-6-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,4-dioxepan-6-yl)carbamate
PubChem CID130643891
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl N-(1,4-dioxepan-6-yl)carbamate
SMILESCOC(=O)NC1COCCOC1
InChIInChI=1S/C7H13NO4/c1-10-7(9)8-6-4-11-2-3-12-5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyPISZBCGFZACZFL-UHFFFAOYSA-N
XLogP-0.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
2-bromo-N-(1,4-dioxepan-6-yl)-3-methylbutanamide
CID 130622225
3-chloro-N-(1,4-dioxepan-6-yl)propanamide
CID 130658722
N-(1,4-dioxepan-6-yl)-3-sulfanylpropanamide
CID 130616046
ethyl N-(1,3-dioxan-5-yl)carbamate
CID 67075992
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate
CID 170343563
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,4-dioxepan-6-yl)carbamate?
The IUPAC name of methyl N-(1,4-dioxepan-6-yl)carbamate (CID 130643891) is methyl N-(1,4-dioxepan-6-yl)carbamate.
What is the SMILES notation for methyl N-(1,4-dioxepan-6-yl)carbamate?
The canonical SMILES for methyl N-(1,4-dioxepan-6-yl)carbamate is COC(=O)NC1COCCOC1.
What is the InChIKey of methyl N-(1,4-dioxepan-6-yl)carbamate?
The InChIKey is PISZBCGFZACZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-10-7(9)8-6-4-11-2-3-12-5-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of methyl N-(1,4-dioxepan-6-yl)carbamate?
methyl N-(1,4-dioxepan-6-yl)carbamate has a molecular weight of 175.18 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,4-dioxepan-6-yl)carbamate is sourced from PubChem (CID 130643891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).