(1R,5S)-3-azoniabicyclo[3.1.0]hexane

C5H10N+ — CID 23240088

IUPAC(1R,5S)-3-azoniabicyclo[3.1.0]hexane
SMILESC1[NH2+]C[C@H]2C[C@@H]12
InChIInChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2/p+1/t4-,5+
InChIKeyHGWUUOXXAIISDB-SYDPRGILSA-O
MW84.14 g/mol
LogP-0.80
Rot. Bonds

About (1R,5S)-3-azoniabicyclo[3.1.0]hexane

(1R,5S)-3-azoniabicyclo[3.1.0]hexane (PubChem CID 23240088) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is (1R,5S)-3-azoniabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-3-azoniabicyclo[3.1.0]hexane
PubChem CID23240088
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Name(1R,5S)-3-azoniabicyclo[3.1.0]hexane
SMILESC1[NH2+]C[C@H]2C[C@@H]12
InChIInChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2/p+1/t4-,5+
InChIKeyHGWUUOXXAIISDB-SYDPRGILSA-O
XLogP-0.80
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(3S,5S)-3,5-dimethylpiperidin-1-ium
CID 7058086
(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
CID 11423598
bicyclo[2.2.1]heptane-2,5-diamine
CID 4169642
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(16S,21R,23R,25S,28S,30R,32S,34R,37R,39S,41R,46S)-nonadecacyclo[41.11.1.17,19.110,52.116,28.125,37.134,46.03,53.05,9.08,12.014,18.017,21.023,27.026,30.032,36.035,39.041,45.044,48.050,54]hexacontane
CID 134943434
[5-(aminomethyl)piperidin-1-ium-3-yl]methanamine
CID 143020230
3,6-diiodobicyclo[3.1.1]heptane
CID 170185252
(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
CID 36690052
(2S,6R)-2,6-dimethylpiperazine-1,4-diium
CID 6950260
(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrol-6-ium
CID 138976577
2,6-dimethylpiperazin-4-ium
CID 75740716

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-azoniabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-azoniabicyclo[3.1.0]hexane (CID 23240088) is (1R,5S)-3-azoniabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-azoniabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-azoniabicyclo[3.1.0]hexane is C1[NH2+]C[C@H]2C[C@@H]12.
What is the InChIKey of (1R,5S)-3-azoniabicyclo[3.1.0]hexane?
The InChIKey is HGWUUOXXAIISDB-SYDPRGILSA-O. The full InChI is InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2/p+1/t4-,5+.
What are the key properties of (1R,5S)-3-azoniabicyclo[3.1.0]hexane?
(1R,5S)-3-azoniabicyclo[3.1.0]hexane has a molecular weight of 84.14 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-azoniabicyclo[3.1.0]hexane is sourced from PubChem (CID 23240088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).