1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone

C14H21NO — CID 99775427

IUPAC1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone
SMILESO=C([C@H]1C[C@@H]1C1CCC1)N1CCC12CCC2
InChIInChI=1S/C14H21NO/c16-13(12-9-11(12)10-3-1-4-10)15-8-7-14(15)5-2-6-14/h10-12H,1-9H2/t11-,12+/m1/s1
InChIKeyIHUMYFAKSPOQLI-NEPJUHHUSA-N
MW219.33 g/mol
LogP2.58
Rot. Bonds2

About 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone

1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone (PubChem CID 99775427) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone.

Molecular Properties

Compound Name1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone
PubChem CID99775427
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone
SMILESO=C([C@H]1C[C@@H]1C1CCC1)N1CCC12CCC2
InChIInChI=1S/C14H21NO/c16-13(12-9-11(12)10-3-1-4-10)15-8-7-14(15)5-2-6-14/h10-12H,1-9H2/t11-,12+/m1/s1
InChIKeyIHUMYFAKSPOQLI-NEPJUHHUSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-azaspiro[3.3]heptan-1-yl-[(1S,2S)-2-cyclobutylcyclopropyl]methanone
CID 99775426
1-azaspiro[3.3]heptan-1-yl(2-bicyclo[2.2.2]octanyl)methanone
CID 128517846
1-azaspiro[3.3]heptan-1-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 130643737
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 130748124
(2-cyclohexylcyclopropyl)-piperazin-1-ylmethanone
CID 119400440
N-[[1-[(1R,2R)-2-cyclobutylcyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 99775405
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
1-(2-cyclopentylcyclopropyl)ethanone
CID 62313246
(2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124702341
2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
CID 119248477
ethyl 7-[(1S,5R)-6-(1-azaspiro[3.3]heptane-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 137360337

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone?
The IUPAC name of 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone (CID 99775427) is 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone.
What is the SMILES notation for 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone?
The canonical SMILES for 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone is O=C([C@H]1C[C@@H]1C1CCC1)N1CCC12CCC2.
What is the InChIKey of 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone?
The InChIKey is IHUMYFAKSPOQLI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H21NO/c16-13(12-9-11(12)10-3-1-4-10)15-8-7-14(15)5-2-6-14/h10-12H,1-9H2/t11-,12+/m1/s1.
What are the key properties of 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone?
1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone has a molecular weight of 219.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone is sourced from PubChem (CID 99775427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).