spiro[2.4]heptan-6-yl N-methylcarbamate

C9H15NO2 — CID 118332601

IUPACspiro[2.4]heptan-6-yl N-methylcarbamate
SMILESCNC(=O)OC1CCC2(CC2)C1
InChIInChI=1S/C9H15NO2/c1-10-8(11)12-7-2-3-9(6-7)4-5-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyNVRAZEXSFQTLAF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.68
Rot. Bonds1

About spiro[2.4]heptan-6-yl N-methylcarbamate

spiro[2.4]heptan-6-yl N-methylcarbamate (PubChem CID 118332601) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is spiro[2.4]heptan-6-yl N-methylcarbamate.

Molecular Properties

Compound Namespiro[2.4]heptan-6-yl N-methylcarbamate
PubChem CID118332601
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namespiro[2.4]heptan-6-yl N-methylcarbamate
SMILESCNC(=O)OC1CCC2(CC2)C1
InChIInChI=1S/C9H15NO2/c1-10-8(11)12-7-2-3-9(6-7)4-5-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyNVRAZEXSFQTLAF-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2.4]heptan-6-yl N-methylcarbamate?
The IUPAC name of spiro[2.4]heptan-6-yl N-methylcarbamate (CID 118332601) is spiro[2.4]heptan-6-yl N-methylcarbamate.
What is the SMILES notation for spiro[2.4]heptan-6-yl N-methylcarbamate?
The canonical SMILES for spiro[2.4]heptan-6-yl N-methylcarbamate is CNC(=O)OC1CCC2(CC2)C1.
What is the InChIKey of spiro[2.4]heptan-6-yl N-methylcarbamate?
The InChIKey is NVRAZEXSFQTLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-8(11)12-7-2-3-9(6-7)4-5-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of spiro[2.4]heptan-6-yl N-methylcarbamate?
spiro[2.4]heptan-6-yl N-methylcarbamate has a molecular weight of 169.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.4]heptan-6-yl N-methylcarbamate is sourced from PubChem (CID 118332601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).