1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine

C13H21N — CID 54754683

IUPAC1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
SMILESC1CN(C2C3CCC(C3)C23CCC3)C1
InChIInChI=1S/C13H21N/c1-5-13(6-1)11-4-3-10(9-11)12(13)14-7-2-8-14/h10-12H,1-9H2
InChIKeyBCAKRPNYRZTACK-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.66
Rot. Bonds1

About 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine

1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine (PubChem CID 54754683) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine.

Molecular Properties

Compound Name1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
PubChem CID54754683
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
SMILESC1CN(C2C3CCC(C3)C23CCC3)C1
InChIInChI=1S/C13H21N/c1-5-13(6-1)11-4-3-10(9-11)12(13)14-7-2-8-14/h10-12H,1-9H2
InChIKeyBCAKRPNYRZTACK-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
CID 54754682
(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
CID 15761090
(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833722
(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol
CID 130991380
[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol
CID 11499250
spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]
CID 58675403
(1R,2R,3R,3'R,4S)-3'-(aminomethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439997
[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
CID 170440022
[(1'S,2R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
CID 167144777
(2S,3R,3'S,4S)-3'-ethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439902
[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol
CID 170440223
3-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)oxan-3-yl]-7-oxabicyclo[4.1.0]heptane
CID 141079516

Frequently Asked Questions

What is the IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine?
The IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine (CID 54754683) is 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine.
What is the SMILES notation for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine?
The canonical SMILES for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine is C1CN(C2C3CCC(C3)C23CCC3)C1.
What is the InChIKey of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine?
The InChIKey is BCAKRPNYRZTACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13(6-1)11-4-3-10(9-11)12(13)14-7-2-8-14/h10-12H,1-9H2.
What are the key properties of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine?
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine has a molecular weight of 191.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine is sourced from PubChem (CID 54754683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).