spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C10H17NO — CID 71757180

IUPACspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESNC1C2CCOC2C12CCCC2
InChIInChI=1S/C10H17NO/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7-9H,1-6,11H2
InChIKeySECNRCAOCKDXOF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.29
Rot. Bonds

About spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 71757180) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound Namespiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID71757180
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namespiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESNC1C2CCOC2C12CCCC2
InChIInChI=1S/C10H17NO/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7-9H,1-6,11H2
InChIKeySECNRCAOCKDXOF-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 71757180) is spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is NC1C2CCOC2C12CCCC2.
What is the InChIKey of spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is SECNRCAOCKDXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7-9H,1-6,11H2.
What are the key properties of spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 167.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 71757180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).