(6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene

C10H15N3 — CID 130705004

IUPAC(6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene
SMILESCC1=CCC(=C(C)C)C[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C10H15N3/c1-7(2)9-5-4-8(3)10(6-9)12-13-11/h4,10H,5-6H2,1-3H3/t10-/m0/s1
InChIKeyRCHXBPOCLNMSOL-JTQLQIEISA-N
MW177.25 g/mol
LogP3.74
Rot. Bonds1

About (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene

(6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene (PubChem CID 130705004) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene.

Molecular Properties

Compound Name(6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene
PubChem CID130705004
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene
SMILESCC1=CCC(=C(C)C)C[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C10H15N3/c1-7(2)9-5-4-8(3)10(6-9)12-13-11/h4,10H,5-6H2,1-3H3/t10-/m0/s1
InChIKeyRCHXBPOCLNMSOL-JTQLQIEISA-N
XLogP3.74
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.74
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

2-Cyclohexen-1-yl-azide
CID 11007889
3-Azido-1-methylcyclohex-1-ene
CID 11073491
3-Azido-1,5,5-trimethyl-1-cyclohexene
CID 10888275
6-Azido-1-ethenylcyclohexene
CID 101490378
(Z)-4-azidonon-2-ene
CID 134907628
1-(Diazidomethyl)cyclohexene
CID 166447718
6-Azido-2-methylhept-2-ene
CID 13512615
1-(Azidomethyl)-2-methylcyclohexene
CID 18621671
1-(Azidomethyl)-2-ethylcyclohexene
CID 18621686
3,5-dimethyl-4,7-dihydro-3H-diazepine
CID 57131723
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(6E,10E)-3-azido-2,6,10-trimethyltrideca-1,6,10-triene
CID 58664993

Frequently Asked Questions

What is the IUPAC name of (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene?
The IUPAC name of (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene (CID 130705004) is (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene.
What is the SMILES notation for (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene?
The canonical SMILES for (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene is CC1=CCC(=C(C)C)C[C@@H]1N=[N+]=[N-].
What is the InChIKey of (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene?
The InChIKey is RCHXBPOCLNMSOL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)9-5-4-8(3)10(6-9)12-13-11/h4,10H,5-6H2,1-3H3/t10-/m0/s1.
What are the key properties of (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene?
(6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene has a molecular weight of 177.25 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-azido-1-methyl-4-propan-2-ylidenecyclohexene is sourced from PubChem (CID 130705004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).