(1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane

C8H13N — CID 54338344

IUPAC(1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
SMILESC=C1C[C@H](C)[C@H]2C[C@H]2N1
InChIInChI=1S/C8H13N/c1-5-3-6(2)9-8-4-7(5)8/h5,7-9H,2-4H2,1H3/t5-,7+,8+/m0/s1
InChIKeyTXDDOWJRHFSEOC-UIISKDMLSA-N
MW123.20 g/mol
LogP1.52
Rot. Bonds

About (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane

(1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane (PubChem CID 54338344) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
PubChem CID54338344
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
SMILESC=C1C[C@H](C)[C@H]2C[C@H]2N1
InChIInChI=1S/C8H13N/c1-5-3-6(2)9-8-4-7(5)8/h5,7-9H,2-4H2,1H3/t5-,7+,8+/m0/s1
InChIKeyTXDDOWJRHFSEOC-UIISKDMLSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5R,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 54313517
(1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 54313518
(1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 54313519
7-Fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 20653209
3-Methyl-2-methylideneazepane
CID 20613545
(1S,5S,6S)-1,5-dimethyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53730689
(1S,5R,6S)-1,5-dimethyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53730690
5-Methyl-2-methylideneazepane
CID 53769339
6-Methyl-4-methylidene-3-azabicyclo[4.1.0]heptane
CID 53774665
(1R,5S,6S,7S)-7-ethyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53844444
(1R,5S,6S,7R)-7-ethyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53844445
(1R,5S,6S,7S)-7-butyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53930939

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane (CID 54338344) is (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane is C=C1C[C@H](C)[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The InChIKey is TXDDOWJRHFSEOC-UIISKDMLSA-N. The full InChI is InChI=1S/C8H13N/c1-5-3-6(2)9-8-4-7(5)8/h5,7-9H,2-4H2,1H3/t5-,7+,8+/m0/s1.
What are the key properties of (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
(1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane has a molecular weight of 123.20 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 54338344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).