2-azabicyclo[4.1.0]heptane;molecular hydrogen

C6H13N — CID 144713678

IUPAC2-azabicyclo[4.1.0]heptane;molecular hydrogen
SMILESC1CNC2CC2C1.[H][H]
InChIInChI=1S/C6H11N.H2/c1-2-5-4-6(5)7-3-1;/h5-7H,1-4H2;1H
InChIKeyRTXXPPDPWIOBRI-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.00
Rot. Bonds

About 2-azabicyclo[4.1.0]heptane;molecular hydrogen

2-azabicyclo[4.1.0]heptane;molecular hydrogen (PubChem CID 144713678) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 2-azabicyclo[4.1.0]heptane;molecular hydrogen.

Molecular Properties

Compound Name2-azabicyclo[4.1.0]heptane;molecular hydrogen
PubChem CID144713678
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name2-azabicyclo[4.1.0]heptane;molecular hydrogen
SMILESC1CNC2CC2C1.[H][H]
InChIInChI=1S/C6H11N.H2/c1-2-5-4-6(5)7-3-1;/h5-7H,1-4H2;1H
InChIKeyRTXXPPDPWIOBRI-UHFFFAOYSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethylpiperidine
CID 524018
3-Azabicyclo[4.1.0]heptane hydrochloride
CID 74889690
1-Methyl-2-azabicyclo[4.1.0]heptane hydrochloride
CID 75994689
2-Azabicyclo[4.1.0]heptane hydrochloride
CID 86280359
3-Azabicyclo[4.1.0]heptane
CID 20521861
(2S,5S)-2,5-dimethylpiperidine
CID 6427442
7-(Trifluoromethyl)-2-azabicyclo(4.1.0)heptane hydrochloride
CID 54593825
1-Fluoro-3-azabicyclo(4.1.0)heptane hydrochloride
CID 155819437
7,7-Difluoro-2-azabicyclo[4.1.0]heptane hydrochloride
CID 165587098
rel-(2R,5S)-2,5-Dimethylpiperidine
CID 12423876
2-Azabicyclo[4.1.0]heptane
CID 21998683
(1R,6S)-7,7-difluoro-2-azabicyclo[4.1.0]heptane
CID 52271503

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[4.1.0]heptane;molecular hydrogen?
The IUPAC name of 2-azabicyclo[4.1.0]heptane;molecular hydrogen (CID 144713678) is 2-azabicyclo[4.1.0]heptane;molecular hydrogen.
What is the SMILES notation for 2-azabicyclo[4.1.0]heptane;molecular hydrogen?
The canonical SMILES for 2-azabicyclo[4.1.0]heptane;molecular hydrogen is C1CNC2CC2C1.[H][H].
What is the InChIKey of 2-azabicyclo[4.1.0]heptane;molecular hydrogen?
The InChIKey is RTXXPPDPWIOBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.H2/c1-2-5-4-6(5)7-3-1;/h5-7H,1-4H2;1H.
What are the key properties of 2-azabicyclo[4.1.0]heptane;molecular hydrogen?
2-azabicyclo[4.1.0]heptane;molecular hydrogen has a molecular weight of 99.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[4.1.0]heptane;molecular hydrogen is sourced from PubChem (CID 144713678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).