(5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]

C12H21NO — CID 177126242

IUPAC(5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]
SMILESCC(C)OC[C@]12CCN1CC1(CC1)C2
InChIInChI=1S/C12H21NO/c1-10(2)14-9-12-5-6-13(12)8-11(7-12)3-4-11/h10H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyQSDVRYMPDCMYDG-GFCCVEGCSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds3

About (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]

(5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane] (PubChem CID 177126242) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane].

Molecular Properties

Compound Name(5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]
PubChem CID177126242
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]
SMILESCC(C)OC[C@]12CCN1CC1(CC1)C2
InChIInChI=1S/C12H21NO/c1-10(2)14-9-12-5-6-13(12)8-11(7-12)3-4-11/h10H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyQSDVRYMPDCMYDG-GFCCVEGCSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]?
The IUPAC name of (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane] (CID 177126242) is (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane].
What is the SMILES notation for (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]?
The canonical SMILES for (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane] is CC(C)OC[C@]12CCN1CC1(CC1)C2.
What is the InChIKey of (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]?
The InChIKey is QSDVRYMPDCMYDG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)14-9-12-5-6-13(12)8-11(7-12)3-4-11/h10H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane]?
(5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane] has a molecular weight of 195.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(propan-2-yloxymethyl)spiro[1-azabicyclo[3.2.0]heptane-3,1'-cyclopropane] is sourced from PubChem (CID 177126242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).