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

C14H23N — CID 54754682

IUPAC1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
SMILESC1CCN(C2C3CCC(C3)C23CCC3)C1
InChIInChI=1S/C14H23N/c1-2-9-15(8-1)13-11-4-5-12(10-11)14(13)6-3-7-14/h11-13H,1-10H2
InChIKeyAHQJNELNWOYYQN-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.05
Rot. Bonds1

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

1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine (PubChem CID 54754682) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine.

Molecular Properties

Compound Name1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
PubChem CID54754682
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
SMILESC1CCN(C2C3CCC(C3)C23CCC3)C1
InChIInChI=1S/C14H23N/c1-2-9-15(8-1)13-11-4-5-12(10-11)14(13)6-3-7-14/h11-13H,1-10H2
InChIKeyAHQJNELNWOYYQN-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.05
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-ylazetidine
CID 54754683
(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
CID 15761090
[(1S,2R,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]-morpholin-4-ylmethanone
CID 170440022
(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833722
(1R,1'R,2S,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide
CID 164833596
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol
CID 130991380
1-[(1S,1'S,2S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439862
1-[(1S,1'R,2R,3S,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439845
[(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

Frequently Asked Questions

What is the IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine?
The IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine (CID 54754682) is 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine.
What is the SMILES notation for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine?
The canonical SMILES for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine is C1CCN(C2C3CCC(C3)C23CCC3)C1.
What is the InChIKey of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine?
The InChIKey is AHQJNELNWOYYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-9-15(8-1)13-11-4-5-12(10-11)14(13)6-3-7-14/h11-13H,1-10H2.
What are the key properties of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine?
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine has a molecular weight of 205.34 g/mol, XLogP of 3.05, 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-ylpyrrolidine is sourced from PubChem (CID 54754682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).