(1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

C15H23N3O — CID 124864909

IUPAC(1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESC[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cnn(C)c1
InChIInChI=1S/C15H23N3O/c1-10(11-8-16-18(2)9-11)17-13-12-4-7-19-14(12)15(13)5-3-6-15/h8-10,12-14,17H,3-7H2,1-2H3/t10-,12+,13+,14+/m0/s1
InChIKeyIMPVPRPJPBOPHW-IGHBBLSQSA-N
MW261.37 g/mol
LogP2.03
Rot. Bonds3

About (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

(1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (PubChem CID 124864909) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.

Molecular Properties

Compound Name(1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
PubChem CID124864909
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESC[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cnn(C)c1
InChIInChI=1S/C15H23N3O/c1-10(11-8-16-18(2)9-11)17-13-12-4-7-19-14(12)15(13)5-3-6-15/h8-10,12-14,17H,3-7H2,1-2H3/t10-,12+,13+,14+/m0/s1
InChIKeyIMPVPRPJPBOPHW-IGHBBLSQSA-N
XLogP2.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The IUPAC name of (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (CID 124864909) is (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.
What is the SMILES notation for (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The canonical SMILES for (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cnn(C)c1.
What is the InChIKey of (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The InChIKey is IMPVPRPJPBOPHW-IGHBBLSQSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(11-8-16-18(2)9-11)17-13-12-4-7-19-14(12)15(13)5-3-6-15/h8-10,12-14,17H,3-7H2,1-2H3/t10-,12+,13+,14+/m0/s1.
What are the key properties of (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
(1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine has a molecular weight of 261.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is sourced from PubChem (CID 124864909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).