bicyclo[2.2.1]hept-2-en-2-amine

C7H11N — CID 54271477

IUPACbicyclo[2.2.1]hept-2-en-2-amine
SMILESNC1=CC2CCC1C2
InChIInChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h4-6H,1-3,8H2
InChIKeyVPIMLIHIWHCOGA-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.26
Rot. Bonds

About bicyclo[2.2.1]hept-2-en-2-amine

bicyclo[2.2.1]hept-2-en-2-amine (PubChem CID 54271477) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-en-2-amine.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-en-2-amine
PubChem CID54271477
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Namebicyclo[2.2.1]hept-2-en-2-amine
SMILESNC1=CC2CCC1C2
InChIInChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h4-6H,1-3,8H2
InChIKeyVPIMLIHIWHCOGA-UHFFFAOYSA-N
XLogP1.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-en-2-amine?
The IUPAC name of bicyclo[2.2.1]hept-2-en-2-amine (CID 54271477) is bicyclo[2.2.1]hept-2-en-2-amine.
What is the SMILES notation for bicyclo[2.2.1]hept-2-en-2-amine?
The canonical SMILES for bicyclo[2.2.1]hept-2-en-2-amine is NC1=CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-en-2-amine?
The InChIKey is VPIMLIHIWHCOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c8-7-4-5-1-2-6(7)3-5/h4-6H,1-3,8H2.
What are the key properties of bicyclo[2.2.1]hept-2-en-2-amine?
bicyclo[2.2.1]hept-2-en-2-amine has a molecular weight of 109.17 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-en-2-amine is sourced from PubChem (CID 54271477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).