1-(3-azidopropyl)-2-methylidenecyclopentane

C9H15N3 — CID 11355679

IUPAC1-(3-azidopropyl)-2-methylidenecyclopentane
SMILESC=C1CCCC1CCCN=[N+]=[N-]
InChIInChI=1S/C9H15N3/c1-8-4-2-5-9(8)6-3-7-11-12-10/h9H,1-7H2
InChIKeyUMJIWHOKHMRCJG-UHFFFAOYSA-N
MW165.24 g/mol
LogP3.43
Rot. Bonds4

About 1-(3-azidopropyl)-2-methylidenecyclopentane

1-(3-azidopropyl)-2-methylidenecyclopentane (PubChem CID 11355679) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-azidopropyl)-2-methylidenecyclopentane.

Molecular Properties

Compound Name1-(3-azidopropyl)-2-methylidenecyclopentane
PubChem CID11355679
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(3-azidopropyl)-2-methylidenecyclopentane
SMILESC=C1CCCC1CCCN=[N+]=[N-]
InChIInChI=1S/C9H15N3/c1-8-4-2-5-9(8)6-3-7-11-12-10/h9H,1-7H2
InChIKeyUMJIWHOKHMRCJG-UHFFFAOYSA-N
XLogP3.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Azidopropyl)-2-methylidenecyclohexane
CID 12964765
1-(3-Azidopropyl)-2-methylidenecycloheptane
CID 10726451

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)-2-methylidenecyclopentane?
The IUPAC name of 1-(3-azidopropyl)-2-methylidenecyclopentane (CID 11355679) is 1-(3-azidopropyl)-2-methylidenecyclopentane.
What is the SMILES notation for 1-(3-azidopropyl)-2-methylidenecyclopentane?
The canonical SMILES for 1-(3-azidopropyl)-2-methylidenecyclopentane is C=C1CCCC1CCCN=[N+]=[N-].
What is the InChIKey of 1-(3-azidopropyl)-2-methylidenecyclopentane?
The InChIKey is UMJIWHOKHMRCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-4-2-5-9(8)6-3-7-11-12-10/h9H,1-7H2.
What are the key properties of 1-(3-azidopropyl)-2-methylidenecyclopentane?
1-(3-azidopropyl)-2-methylidenecyclopentane has a molecular weight of 165.24 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-2-methylidenecyclopentane is sourced from PubChem (CID 11355679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).