(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene

C8H11N3 — CID 129161146

IUPAC(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene
SMILESCC1=C[C@H](CCN=[N+]=[N-])C=C1
InChIInChI=1S/C8H11N3/c1-7-2-3-8(6-7)4-5-10-11-9/h2-3,6,8H,4-5H2,1H3/t8-/m0/s1
InChIKeyATZXPKKWDCICST-QMMMGPOBSA-N
MW149.20 g/mol
LogP2.82
Rot. Bonds3

About (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene

(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene (PubChem CID 129161146) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene
PubChem CID129161146
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene
SMILESCC1=C[C@H](CCN=[N+]=[N-])C=C1
InChIInChI=1S/C8H11N3/c1-7-2-3-8(6-7)4-5-10-11-9/h2-3,6,8H,4-5H2,1H3/t8-/m0/s1
InChIKeyATZXPKKWDCICST-QMMMGPOBSA-N
XLogP2.82
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.82
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 (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene?
The IUPAC name of (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene (CID 129161146) is (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene.
What is the SMILES notation for (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene?
The canonical SMILES for (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene is CC1=C[C@H](CCN=[N+]=[N-])C=C1.
What is the InChIKey of (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene?
The InChIKey is ATZXPKKWDCICST-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11N3/c1-7-2-3-8(6-7)4-5-10-11-9/h2-3,6,8H,4-5H2,1H3/t8-/m0/s1.
What are the key properties of (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene?
(5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene has a molecular weight of 149.20 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-azidoethyl)-2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 129161146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).