bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine

C9H13N — CID 21198808

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine
SMILESCC(C)N.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H9N/c1-2-6-4-3-5(1)6;1-3(2)4/h1-4H;3H,4H2,1-2H3
InChIKeyREHGKWAUJUBXKD-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.02
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine

bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine (PubChem CID 21198808) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine
PubChem CID21198808
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine
SMILESCC(C)N.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H9N/c1-2-6-4-3-5(1)6;1-3(2)4/h1-4H;3H,4H2,1-2H3
InChIKeyREHGKWAUJUBXKD-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.02
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;propan-2-amine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine (CID 21198808) is bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine is CC(C)N.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine?
The InChIKey is REHGKWAUJUBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C3H9N/c1-2-6-4-3-5(1)6;1-3(2)4/h1-4H;3H,4H2,1-2H3.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine?
bicyclo[2.2.0]hexa-1,3,5-triene;propan-2-amine has a molecular weight of 135.21 g/mol, XLogP of 2.02, 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;propan-2-amine is sourced from PubChem (CID 21198808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).