7-methyl-2-azabicyclo[4.1.0]heptane

C7H13N — CID 117045891

IUPAC7-methyl-2-azabicyclo[4.1.0]heptane
SMILESCC1C2CCCNC12
InChIInChI=1S/C7H13N/c1-5-6-3-2-4-8-7(5)6/h5-8H,2-4H2,1H3
InChIKeyWGMYUQQKRGKXHT-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.00
Rot. Bonds

About 7-methyl-2-azabicyclo[4.1.0]heptane

7-methyl-2-azabicyclo[4.1.0]heptane (PubChem CID 117045891) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 7-methyl-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-methyl-2-azabicyclo[4.1.0]heptane
PubChem CID117045891
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name7-methyl-2-azabicyclo[4.1.0]heptane
SMILESCC1C2CCCNC12
InChIInChI=1S/C7H13N/c1-5-6-3-2-4-8-7(5)6/h5-8H,2-4H2,1H3
InChIKeyWGMYUQQKRGKXHT-UHFFFAOYSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane
CID 155110799
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CID 162503082
5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane
CID 157051839
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane
CID 105430757
8-methyl-6-thia-10-azatricyclo[7.4.0.02,7]tridec-3-ene
CID 59121128
2-cycloheptyl-3-methylpiperidine
CID 84720602
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
3-methyl-2-piperidin-2-ylpiperidine
CID 121218618
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415
(3R)-2,3-dimethylpiperidine
CID 118133422

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-azabicyclo[4.1.0]heptane?
The IUPAC name of 7-methyl-2-azabicyclo[4.1.0]heptane (CID 117045891) is 7-methyl-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7-methyl-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7-methyl-2-azabicyclo[4.1.0]heptane is CC1C2CCCNC12.
What is the InChIKey of 7-methyl-2-azabicyclo[4.1.0]heptane?
The InChIKey is WGMYUQQKRGKXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6-3-2-4-8-7(5)6/h5-8H,2-4H2,1H3.
What are the key properties of 7-methyl-2-azabicyclo[4.1.0]heptane?
7-methyl-2-azabicyclo[4.1.0]heptane has a molecular weight of 111.19 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 7-methyl-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 117045891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).