1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride

C11H19ClN2O — CID 130748124

IUPAC1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CCC12CCC2
InChIInChI=1S/C11H18N2O.ClH/c14-10(9-2-6-12-8-9)13-7-5-11(13)3-1-4-11;/h9,12H,1-8H2;1H
InChIKeyRBIMQHFECBTUJW-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.17
Rot. Bonds1

About 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride

1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride (PubChem CID 130748124) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
PubChem CID130748124
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CCC12CCC2
InChIInChI=1S/C11H18N2O.ClH/c14-10(9-2-6-12-8-9)13-7-5-11(13)3-1-4-11;/h9,12H,1-8H2;1H
InChIKeyRBIMQHFECBTUJW-UHFFFAOYSA-N
XLogP1.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1-azaspiro[3.3]heptan-1-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 130643737
(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone
CID 119899813
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
1-azaspiro[3.3]heptan-1-yl-[(1S,2R)-2-cyclobutylcyclopropyl]methanone
CID 99775427
[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The IUPAC name of 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride (CID 130748124) is 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride.
What is the SMILES notation for 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The canonical SMILES for 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride is Cl.O=C(C1CCNC1)N1CCC12CCC2.
What is the InChIKey of 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride?
The InChIKey is RBIMQHFECBTUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c14-10(9-2-6-12-8-9)13-7-5-11(13)3-1-4-11;/h9,12H,1-8H2;1H.
What are the key properties of 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride?
1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 130748124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).