2-propyl-2-azabicyclo[2.2.1]hept-5-ene

C9H15N — CID 19854921

IUPAC2-propyl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCCCN1CC2C=CC1C2
InChIInChI=1S/C9H15N/c1-2-5-10-7-8-3-4-9(10)6-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyGMSBOBGBABRHQZ-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.66
Rot. Bonds2

About 2-propyl-2-azabicyclo[2.2.1]hept-5-ene

2-propyl-2-azabicyclo[2.2.1]hept-5-ene (PubChem CID 19854921) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-propyl-2-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name2-propyl-2-azabicyclo[2.2.1]hept-5-ene
PubChem CID19854921
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-propyl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCCCN1CC2C=CC1C2
InChIInChI=1S/C9H15N/c1-2-5-10-7-8-3-4-9(10)6-8/h3-4,8-9H,2,5-7H2,1H3
InChIKeyGMSBOBGBABRHQZ-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
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 2-propyl-2-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 2-propyl-2-azabicyclo[2.2.1]hept-5-ene (CID 19854921) is 2-propyl-2-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 2-propyl-2-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 2-propyl-2-azabicyclo[2.2.1]hept-5-ene is CCCN1CC2C=CC1C2.
What is the InChIKey of 2-propyl-2-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is GMSBOBGBABRHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-5-10-7-8-3-4-9(10)6-8/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of 2-propyl-2-azabicyclo[2.2.1]hept-5-ene?
2-propyl-2-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 137.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 19854921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).