bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine

C8H11N — CID 18785460

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine
SMILESCNC.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H7N/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1-2H3
InChIKeyBVPSZBLFXKHULD-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.50
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine

bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine (PubChem CID 18785460) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine
PubChem CID18785460
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine
SMILESCNC.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H7N/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1-2H3
InChIKeyBVPSZBLFXKHULD-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine (CID 18785460) is bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine is CNC.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine?
The InChIKey is BVPSZBLFXKHULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H7N/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1-2H3.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine?
bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;N-methylmethanamine is sourced from PubChem (CID 18785460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).