bicyclo[2.2.1]hept-2-en-7-amine

C7H11N — CID 22292228

IUPACbicyclo[2.2.1]hept-2-en-7-amine
SMILESNC1C2C=CC1CC2
InChIInChI=1S/C7H11N/c8-7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4,8H2
InChIKeyRCTHVTQMVRUVDM-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.91
Rot. Bonds

About bicyclo[2.2.1]hept-2-en-7-amine

bicyclo[2.2.1]hept-2-en-7-amine (PubChem CID 22292228) 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-7-amine.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-en-7-amine
PubChem CID22292228
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Namebicyclo[2.2.1]hept-2-en-7-amine
SMILESNC1C2C=CC1CC2
InChIInChI=1S/C7H11N/c8-7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4,8H2
InChIKeyRCTHVTQMVRUVDM-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-en-7-amine?
The IUPAC name of bicyclo[2.2.1]hept-2-en-7-amine (CID 22292228) is bicyclo[2.2.1]hept-2-en-7-amine.
What is the SMILES notation for bicyclo[2.2.1]hept-2-en-7-amine?
The canonical SMILES for bicyclo[2.2.1]hept-2-en-7-amine is NC1C2C=CC1CC2.
What is the InChIKey of bicyclo[2.2.1]hept-2-en-7-amine?
The InChIKey is RCTHVTQMVRUVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c8-7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4,8H2.
What are the key properties of bicyclo[2.2.1]hept-2-en-7-amine?
bicyclo[2.2.1]hept-2-en-7-amine has a molecular weight of 109.17 g/mol, XLogP of 0.91, 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-7-amine is sourced from PubChem (CID 22292228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).