2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine

C10H15N — CID 70324676

IUPAC2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine
SMILESC=CC[C@H](C)/C=C\CC1C=N1
InChIInChI=1S/C10H15N/c1-3-5-9(2)6-4-7-10-8-11-10/h3-4,6,8-10H,1,5,7H2,2H3/b6-4-/t9-,10?/m0/s1
InChIKeyFMTZMFZDSHAFBK-YMHAIJKBSA-N
MW149.24 g/mol
LogP2.60
Rot. Bonds5

About 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine

2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine (PubChem CID 70324676) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine.

Molecular Properties

Compound Name2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine
PubChem CID70324676
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine
SMILESC=CC[C@H](C)/C=C\CC1C=N1
InChIInChI=1S/C10H15N/c1-3-5-9(2)6-4-7-10-8-11-10/h3-4,6,8-10H,1,5,7H2,2H3/b6-4-/t9-,10?/m0/s1
InChIKeyFMTZMFZDSHAFBK-YMHAIJKBSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethyl-2,3-dihydropyridine
CID 19937065
(4Z,8Z)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 20436153
(4Z,8Z)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 20537987
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 22811541
(4E,8E)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 22811545
3,12,12-Trimethyl-1-aza-1,5,9-cyclododecatriene
CID 53687623
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
2-Cyclopropyl-2,5-dihydropyridine
CID 54163106
2-Tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 57087163
2-Propan-2-yl-2,5-dihydropyridine
CID 57314007
(2R,3R)-2,3-dimethyl-2,3-dihydropyridine
CID 59584701

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine?
The IUPAC name of 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine (CID 70324676) is 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine.
What is the SMILES notation for 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine?
The canonical SMILES for 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine is C=CC[C@H](C)/C=C\CC1C=N1.
What is the InChIKey of 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine?
The InChIKey is FMTZMFZDSHAFBK-YMHAIJKBSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-9(2)6-4-7-10-8-11-10/h3-4,6,8-10H,1,5,7H2,2H3/b6-4-/t9-,10?/m0/s1.
What are the key properties of 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine?
2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine has a molecular weight of 149.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4S)-4-methylhepta-2,6-dienyl]-2H-azirine is sourced from PubChem (CID 70324676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).