1-(azidomethyl)-3-methylcyclopentene

C7H11N3 — CID 18621676

IUPAC1-(azidomethyl)-3-methylcyclopentene
SMILESCC1C=C(CN=[N+]=[N-])CC1
InChIInChI=1S/C7H11N3/c1-6-2-3-7(4-6)5-9-10-8/h4,6H,2-3,5H2,1H3
InChIKeyCIUOERXMJUWMEH-UHFFFAOYSA-N
MW137.19 g/mol
LogP2.65
Rot. Bonds2

About 1-(azidomethyl)-3-methylcyclopentene

1-(azidomethyl)-3-methylcyclopentene (PubChem CID 18621676) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-(azidomethyl)-3-methylcyclopentene.

Molecular Properties

Compound Name1-(azidomethyl)-3-methylcyclopentene
PubChem CID18621676
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-(azidomethyl)-3-methylcyclopentene
SMILESCC1C=C(CN=[N+]=[N-])CC1
InChIInChI=1S/C7H11N3/c1-6-2-3-7(4-6)5-9-10-8/h4,6H,2-3,5H2,1H3
InChIKeyCIUOERXMJUWMEH-UHFFFAOYSA-N
XLogP2.65
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 52.65
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(Azidomethyl)cyclohexene
CID 118272396
Citronellyl azide
CID 11412737
(6R)-8-azido-2,6-dimethyloct-2-ene
CID 135039163
1-(Azidomethyl)cyclopentene
CID 15094073
3-(Azidomethyl)-1-methylcyclohexene
CID 18621683
2(R),3(S),7-trimethyl-1-azido-6-octene
CID 22872575
3-(2-Azidoethyl)cyclopentene
CID 89848796
(3-Methylcyclopenten-1-yl)methanamine
CID 142947677
(6S)-8-azido-2,6-dimethyloct-2-ene
CID 14814944
1-(Azidomethyl)-4-prop-1-en-2-ylcyclohexene
CID 15094077
3-Azido-1-methylcyclopentene
CID 129985315
(4R)-1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene
CID 130705005

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-3-methylcyclopentene?
The IUPAC name of 1-(azidomethyl)-3-methylcyclopentene (CID 18621676) is 1-(azidomethyl)-3-methylcyclopentene.
What is the SMILES notation for 1-(azidomethyl)-3-methylcyclopentene?
The canonical SMILES for 1-(azidomethyl)-3-methylcyclopentene is CC1C=C(CN=[N+]=[N-])CC1.
What is the InChIKey of 1-(azidomethyl)-3-methylcyclopentene?
The InChIKey is CIUOERXMJUWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-2-3-7(4-6)5-9-10-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-(azidomethyl)-3-methylcyclopentene?
1-(azidomethyl)-3-methylcyclopentene has a molecular weight of 137.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-3-methylcyclopentene is sourced from PubChem (CID 18621676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).