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

C8H13N — CID 54338342

IUPAC(1S,5R,6S)-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+/m1/s1
InChIKeyTXDDOWJRHFSEOC-DTLFHODZSA-N
MW123.20 g/mol
LogP1.52
Rot. Bonds

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

(1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane (PubChem CID 54338342) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
PubChem CID54338342
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1S,5R,6S)-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+/m1/s1
InChIKeyTXDDOWJRHFSEOC-DTLFHODZSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 54313517
CID 54313517
CID 54313518
CID 54313518
CID 54313519
CID 54313519
CID 20653209
CID 20653209
CID 20613545
CID 20613545
CID 53730689
CID 53730689
CID 53730690
CID 53730690
CID 53769339
CID 53769339
CID 53774665
CID 53774665
CID 53844444
CID 53844444
CID 53844445
CID 53844445
CID 53930939
CID 53930939

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane (CID 54338342) is (1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,5R,6S)-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 (1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The InChIKey is TXDDOWJRHFSEOC-DTLFHODZSA-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+/m1/s1.
What are the key properties of (1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
(1S,5R,6S)-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 (1S,5R,6S)-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 54338342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).