(3S)-3-azido-1,1-dimethylcyclopentane

C7H13N3 — CID 54353995

IUPAC(3S)-3-azido-1,1-dimethylcyclopentane
SMILESCC1(C)CC[C@H](N=[N+]=[N-])C1
InChIInChI=1S/C7H13N3/c1-7(2)4-3-6(5-7)9-10-8/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyYITGAILEMZJRHH-LURJTMIESA-N
MW139.20 g/mol
LogP2.88
Rot. Bonds1

About (3S)-3-azido-1,1-dimethylcyclopentane

(3S)-3-azido-1,1-dimethylcyclopentane (PubChem CID 54353995) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (3S)-3-azido-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name(3S)-3-azido-1,1-dimethylcyclopentane
PubChem CID54353995
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(3S)-3-azido-1,1-dimethylcyclopentane
SMILESCC1(C)CC[C@H](N=[N+]=[N-])C1
InChIInChI=1S/C7H13N3/c1-7(2)4-3-6(5-7)9-10-8/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyYITGAILEMZJRHH-LURJTMIESA-N
XLogP2.88
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-azido-1,1-dimethylcyclopentane?
The IUPAC name of (3S)-3-azido-1,1-dimethylcyclopentane (CID 54353995) is (3S)-3-azido-1,1-dimethylcyclopentane.
What is the SMILES notation for (3S)-3-azido-1,1-dimethylcyclopentane?
The canonical SMILES for (3S)-3-azido-1,1-dimethylcyclopentane is CC1(C)CC[C@H](N=[N+]=[N-])C1.
What is the InChIKey of (3S)-3-azido-1,1-dimethylcyclopentane?
The InChIKey is YITGAILEMZJRHH-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3/c1-7(2)4-3-6(5-7)9-10-8/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3-azido-1,1-dimethylcyclopentane?
(3S)-3-azido-1,1-dimethylcyclopentane has a molecular weight of 139.20 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-azido-1,1-dimethylcyclopentane is sourced from PubChem (CID 54353995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).