(1S,4S)-2-azabicyclo[2.1.0]pentane

C4H7N — CID 29082085

IUPAC(1S,4S)-2-azabicyclo[2.1.0]pentane
SMILESC1N[C@H]2C[C@@H]12
InChIInChI=1S/C4H7N/c1-3-2-5-4(1)3/h3-5H,1-2H2/t3-,4-/m0/s1
InChIKeyDAPJDNAXUNPBRZ-IMJSIDKUSA-N
MW69.11 g/mol
LogP-0.02
Rot. Bonds

About (1S,4S)-2-azabicyclo[2.1.0]pentane

(1S,4S)-2-azabicyclo[2.1.0]pentane (PubChem CID 29082085) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is (1S,4S)-2-azabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name(1S,4S)-2-azabicyclo[2.1.0]pentane
PubChem CID29082085
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC Name(1S,4S)-2-azabicyclo[2.1.0]pentane
SMILESC1N[C@H]2C[C@@H]12
InChIInChI=1S/C4H7N/c1-3-2-5-4(1)3/h3-5H,1-2H2/t3-,4-/m0/s1
InChIKeyDAPJDNAXUNPBRZ-IMJSIDKUSA-N
XLogP-0.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.11
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
2-azabicyclo[2.1.0]pentane;hydrochloride
CID 67309553
2-azabicyclo[2.1.1]hexane-5-thiol
CID 123927307
(1S,4R,5S)-5-fluoro-2-azabicyclo[2.1.1]hexane
CID 55280748
(2S,4R)-2,4-dicyclopropylpyrrolidine
CID 92569047
6-azatricyclo[3.2.1.03,8]octane
CID 129230389
(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane
CID 168742834
(1R,4S,7S)-7-bromo-2-azabicyclo[2.2.1]heptane
CID 98071510
2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine
CID 130787774
7-azabicyclo[4.2.0]octane-3-carbonitrile
CID 66606965
2-(2-azabicyclo[2.1.1]hexan-5-yl)-5-azabicyclo[2.1.1]hexane
CID 134341238
amino 2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 177168799

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-azabicyclo[2.1.0]pentane?
The IUPAC name of (1S,4S)-2-azabicyclo[2.1.0]pentane (CID 29082085) is (1S,4S)-2-azabicyclo[2.1.0]pentane.
What is the SMILES notation for (1S,4S)-2-azabicyclo[2.1.0]pentane?
The canonical SMILES for (1S,4S)-2-azabicyclo[2.1.0]pentane is C1N[C@H]2C[C@@H]12.
What is the InChIKey of (1S,4S)-2-azabicyclo[2.1.0]pentane?
The InChIKey is DAPJDNAXUNPBRZ-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H7N/c1-3-2-5-4(1)3/h3-5H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (1S,4S)-2-azabicyclo[2.1.0]pentane?
(1S,4S)-2-azabicyclo[2.1.0]pentane has a molecular weight of 69.11 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-azabicyclo[2.1.0]pentane is sourced from PubChem (CID 29082085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).