9-prop-2-ynyl-9-azabicyclo[6.2.0]decane

C12H19N — CID 130688640

IUPAC9-prop-2-ynyl-9-azabicyclo[6.2.0]decane
SMILESC#CCN1CC2CCCCCCC21
InChIInChI=1S/C12H19N/c1-2-9-13-10-11-7-5-3-4-6-8-12(11)13/h1,11-12H,3-10H2
InChIKeyRFLVUKYXNXFEEM-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.27
Rot. Bonds1

About 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane

9-prop-2-ynyl-9-azabicyclo[6.2.0]decane (PubChem CID 130688640) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane.

Molecular Properties

Compound Name9-prop-2-ynyl-9-azabicyclo[6.2.0]decane
PubChem CID130688640
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name9-prop-2-ynyl-9-azabicyclo[6.2.0]decane
SMILESC#CCN1CC2CCCCCCC21
InChIInChI=1S/C12H19N/c1-2-9-13-10-11-7-5-3-4-6-8-12(11)13/h1,11-12H,3-10H2
InChIKeyRFLVUKYXNXFEEM-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-Dimethyl-9-azoniabicyclo[6.2.0]decane
CID 161902480
2-(9-Azabicyclo[6.2.0]decan-9-yl)acetonitrile
CID 126989355
9-Propyl-9-azabicyclo[6.2.0]decane
CID 126990839
9-Methyl-9-azabicyclo[6.2.0]decane
CID 130650295
9-Ethyl-9-azabicyclo[6.2.0]decane
CID 130693453

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane?
The IUPAC name of 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane (CID 130688640) is 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane.
What is the SMILES notation for 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane?
The canonical SMILES for 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane is C#CCN1CC2CCCCCCC21.
What is the InChIKey of 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane?
The InChIKey is RFLVUKYXNXFEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-9-13-10-11-7-5-3-4-6-8-12(11)13/h1,11-12H,3-10H2.
What are the key properties of 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane?
9-prop-2-ynyl-9-azabicyclo[6.2.0]decane has a molecular weight of 177.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-ynyl-9-azabicyclo[6.2.0]decane is sourced from PubChem (CID 130688640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).