1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene

C10H15N3 — CID 15094077

IUPAC1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(CN=[N+]=[N-])CC1
InChIInChI=1S/C10H15N3/c1-8(2)10-5-3-9(4-6-10)7-12-13-11/h3,10H,1,4-7H2,2H3
InChIKeyWCIBEVAPXIXYSM-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.60
Rot. Bonds3

About 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene

1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene (PubChem CID 15094077) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene
PubChem CID15094077
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(CN=[N+]=[N-])CC1
InChIInChI=1S/C10H15N3/c1-8(2)10-5-3-9(4-6-10)7-12-13-11/h3,10H,1,4-7H2,2H3
InChIKeyWCIBEVAPXIXYSM-UHFFFAOYSA-N
XLogP3.60
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.60
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-Azido-1,5,5-trimethyl-1-cyclohexene
CID 10888275
Citronellyl azide
CID 11412737
(6R)-8-azido-2,6-dimethyloct-2-ene
CID 135039163
4-(Azidomethyl)cyclohex-1-ene
CID 13512614
3-(Azidomethyl)-1-ethylcyclohexene
CID 18621673
1-(Azidomethyl)-3-methylcyclopentene
CID 18621676
3-(Azidomethyl)-1-methylcyclohexene
CID 18621683
2(R),3(S),7-trimethyl-1-azido-6-octene
CID 22872575
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(3R,4S,5S)-3-azido-1,4-dimethyl-5-prop-2-enylcyclohexene
CID 59076472
(3R,4S,5S)-3-azido-5-ethenyl-1,4-dimethylcyclohexene
CID 59076484
(3S,4S,5S)-5-azido-3-ethenyl-1,4-dimethylcyclohexene
CID 59076562

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene (CID 15094077) is 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(CN=[N+]=[N-])CC1.
What is the InChIKey of 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene?
The InChIKey is WCIBEVAPXIXYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)10-5-3-9(4-6-10)7-12-13-11/h3,10H,1,4-7H2,2H3.
What are the key properties of 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene?
1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene has a molecular weight of 177.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 15094077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).