3-prop-2-ynyl-3-azabicyclo[3.2.1]octane

C10H15N — CID 130635468

IUPAC3-prop-2-ynyl-3-azabicyclo[3.2.1]octane
SMILESC#CCN1CC2CCC(C2)C1
InChIInChI=1S/C10H15N/c1-2-5-11-7-9-3-4-10(6-9)8-11/h1,9-10H,3-8H2
InChIKeyYXNZYRSEWZCXSW-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.35
Rot. Bonds1

About 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane

3-prop-2-ynyl-3-azabicyclo[3.2.1]octane (PubChem CID 130635468) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-prop-2-ynyl-3-azabicyclo[3.2.1]octane
PubChem CID130635468
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-prop-2-ynyl-3-azabicyclo[3.2.1]octane
SMILESC#CCN1CC2CCC(C2)C1
InChIInChI=1S/C10H15N/c1-2-5-11-7-9-3-4-10(6-9)8-11/h1,9-10H,3-8H2
InChIKeyYXNZYRSEWZCXSW-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane (CID 130635468) is 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane is C#CCN1CC2CCC(C2)C1.
What is the InChIKey of 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane?
The InChIKey is YXNZYRSEWZCXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-5-11-7-9-3-4-10(6-9)8-11/h1,9-10H,3-8H2.
What are the key properties of 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane?
3-prop-2-ynyl-3-azabicyclo[3.2.1]octane has a molecular weight of 149.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130635468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).